Asymmetric Hydrogenation of PZQ-enamide
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1
DateRun ByrefMetal Ligand Loading (mol%)Solvent volume (mL)Temp (°C)H2 Pressure (bar)Time (hours)Substrate Conv. (area %) eeLigand SMILESLigand InChIget imagepasted value
2
20/09/2010DSMRh(COD)2BF4MonoPhos5DCM5502516PZQ0CN(C)P1OC2=C(C3=C(C=CC=C4)C4=CC=C3O1)C5=CC=CC=C5C=C2InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3#NAME?http://www.daylight.com/daycgi/smi2gif?434e28432950314f43323d432843333d4328433d43433d43342943343d43433d43334f312943353d43433d43433d4335433d4332
3
20/09/2010DSMRh(COD)2BF4MonoPhos5MeOH5rt2516PZQ0CN(C)P1OC2=C(C3=C(C=CC=C4)C4=CC=C3O1)C5=CC=CC=C5C=C2InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3#NAME?http://www.daylight.com/daycgi/smi2gif?434e28432950314f43323d432843333d4328433d43433d43342943343d43433d43334f312943353d43433d43433d4335433d4332
4
20/09/2010DSMRh(COD)2BF4MonoPhos5DCM5rt2516PZQ0CN(C)P1OC2=C(C3=C(C=CC=C4)C4=CC=C3O1)C5=CC=CC=C5C=C2InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3#NAME?http://www.daylight.com/daycgi/smi2gif?434e28432950314f43323d432843333d4328433d43433d43342943343d43433d43334f312943353d43433d43433d4335433d4332
5
20/09/2010DSMRh(COD)2BF4MonoPhos5DCM5rt2516PZQ + Ac-Phe-OMePZQ 0 Ac-Phe-OMe 10098CN(C)P1OC2=C(C3=C(C=CC=C4)C4=CC=C3O1)C5=CC=CC=C5C=C2InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3#NAME?http://www.daylight.com/daycgi/smi2gif?434e28432950314f43323d432843333d4328433d43433d43342943343d43433d43334f312943353d43433d43433d4335433d4332
6
20/09/2010DSMRh(COD)2BF4MonoPhos5DCM5rt2516Ac-Phe-OMe10098CN(C)P1OC2=C(C3=C(C=CC=C4)C4=CC=C3O1)C5=CC=CC=C5C=C2InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3#NAME?#N/A#N/A
7
DSMRh(COD)2BF4S-PhanePhos5DCM5rt2516PZQ0C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
8
20/10/2010DSMRh(COD)2BF4TangPhos5DCM5rt2516PZQ0CC(C)(C)P1CCCC1C2P(C(C)(C)C)CCC2InChI=1S/C16H32P2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h13-14H,7-12H2,1-6H3#NAME?http://www.daylight.com/daycgi/smi2gif?4343284329284329503143434343314332502843284329284329432943434332
9
20/10/2010DSMRh(COD)2BF4JosiPhos5DCM5rt2516PZQ0C[C@@H](C1=C[CH-]C=C1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4CCCCC4)C5CCCCC5.C6=C[CH-]C=C6.[Fe+2]InChI=1S/C31H39P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h4-5,10-14,19-27H,2-3,6-9,15-18H2,1H3;1-5H;/q2*-1;+2/t25-;;/m0../s1#NAME?#N/A#N/A
10
20/10/2010DSM[Ir(COD)Cl]2Phosphine oxazoline5DCM5rt2516PZQ0CC(C)(C)[C@@H](CO1)N=C1C2=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2.F[P-2](F)(F)(F)(F)F.C5=C\CC/C=C\CC/5.[Ir+]InChI=1S/C25H26NOP.C8H12.F6P.Ir/c1-25(2,3)23-18-27-24(26-23)21-16-10-11-17-22(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h4-17,23H,18H2,1-3H3;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;/t23-;;;/m0.../s1#NAME?http://www.daylight.com/daycgi/smi2gif?43432843292843295b434040485d28434f31294e3d433143323d4328502843333d43433d43433d43332943343d43433d43433d433429433d43433d43322e465b502d325d284629284629284629284629462e43353d435c43432f433d435c43432f352e5b49722b5d
11
21/12/0210DSMA1Rh(COD)2BF4Binap12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=CC=C1C=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=C2C5=C(C=CC=C6)C6=CC=C5P(C7=CC=CC=C7)C8=CC=CC=C8InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d434328502843333d43433d43433d43332943343d43433d43433d4334293d433243353d4328433d43433d43362943363d43433d4335502843373d43433d43433d43372943383d43433d43433d4338
12
21/12/0210DSMA2Rh(COD)2BF4catASium Ph12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=CC=C1C=CC3=C2C4=C(C=CC=C5)C5=CC=C4CP(C6=CC=CC=C6)C3InChI=1S/C28H21P/c1-2-10-24(11-3-1)29-18-22-16-14-20-8-4-6-12-25(20)27(22)28-23(19-29)17-15-21-9-5-7-13-26(21)28/h1-17H,18-19H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d4343333d433243343d4328433d43433d43352943353d43433d433443502843363d43433d43433d4336294333
13
21/12/0210DSMA3Rh(COD)2BF4DIOP12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC1(C)O[C@@H](CP(C2=CC=CC=C2)C3=CC=CC=C3)[C@H](CP(C4=CC=CC=C4)C5=CC=CC=C5)O1InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1#NAME?http://www.daylight.com/daycgi/smi2gif?4343312843294f5b434040485d2843502843323d43433d43433d43322943333d43433d43433d4333295b4340485d2843502843343d43433d43433d43342943353d43433d43433d4335294f31
14
21/12/0210DSMA4Rh(COD)2BF4SkewPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C[C@H](P(C1=CC=CC=C1)C2=CC=CC=C2)C[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)CInChI=1S/C29H30P2/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b4340485d28502843313d43433d43433d43312943323d43433d43433d433229435b434040485d28502843333d43433d43433d43332943343d43433d43433d43342943
15
21/12/0210DSMA5Rh(COD)2BF4CarboPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC1=CC(C)=CC(P(C2=CC(C)=CC(C)=C2)OC3C(COC(C4=CC=CC=C4)=O)OC(OC)C(OC(C5=CC=CC=C5)=O)C3OP(C6=CC(C)=CC(C)=C6)C7=CC(C)=CC(C)=C7)=C1InChI=1S/C53H56O8P2/c1-33-20-34(2)25-43(24-33)62(44-26-35(3)21-36(4)27-44)60-48-47(32-57-51(54)41-16-12-10-13-17-41)58-53(56-9)50(59-52(55)42-18-14-11-15-19-42)49(48)61-63(45-28-37(5)22-38(6)29-45)46-30-39(7)23-40(8)31-46/h10-31,47-50,53H,32H2,1-9H3#NAME?http://www.daylight.com/daycgi/smi2gif?4343313d43432843293d434328502843323d43432843293d43432843293d4332294f43334328434f432843343d43433d43433d4334293d4f294f43284f432943284f432843353d43433d43433d4335293d4f2943334f502843363d43432843293d43432843293d43362943373d43432843293d43432843293d4337293d4331
16
21/12/0210DSMA6Rh(COD)2BF4JosiPhos 418-112DCM:MeOH (0.5:2.2)2.7602518PZQ0 CC1=C(OC)C(C)=CC(P(C2=CC(C)=C(OC)C(C)=C2)C3=C[CH-]C=C3C(C)P(C4=CC(C)=CC(C)=C4)C5=CC(C)=CC(C)=C5)=C1.C6=C[CH-]C=C6.[Fe+2]InChI=1S/C41H47O2P2.C5H5.Fe/c1-25-15-26(2)18-34(17-25)44(35-19-27(3)16-28(4)20-35)33(9)38-13-12-14-39(38)45(36-21-29(5)40(42-10)30(6)22-36)37-23-31(7)41(43-11)32(8)24-37;1-2-4-5-3-1;/h12-24,33H,1-11H3;1-5H;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?204343313d43284f4329432843293d434328502843323d43432843293d43284f4329432843293d43322943333d435b43482d5d433d433343284329502843343d43432843293d43432843293d43342943353d43432843293d43432843293d4335293d43312e43363d435b43482d5d433d43362e5b46652b325d
17
21/12/0210DSMB1Rh(COD)2BF4Tol-Binap12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(C=C1)=CC=C1P(C2=CC=C(C)C=C2)C3=C(C4=C(C=CC=C5)C5=CC=C4P(C6=CC=C(C)C=C6)C7=CC=C(C)C=C7)C8=CC=CC=C8C=C3InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3#NAME?http://www.daylight.com/daycgi/smi2gif?434328433d4331293d43433d4331502843323d43433d43284329433d43322943333d432843343d4328433d43433d43352943353d43433d4334502843363d43433d43284329433d43362943373d43433d43284329433d43372943383d43433d43433d4338433d4333
18
21/12/0210DSMB2Rh(COD)2BF4MOP12DCM:MeOH (0.5:2.2)2.7602518PZQ0COC1=C(C2=C(C=CC=C3)C3=CC=C2P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6C=C1InChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3#NAME?http://www.daylight.com/daycgi/smi2gif?434f43313d432843323d4328433d43433d43332943333d43433d4332502843343d43433d43433d43342943353d43433d43433d43352943363d43433d43433d4336433d4331
19
21/12/0210DSMB3Rh(COD)2BF4BICP12DCM:MeOH (0.5:2.2)2.7602518PZQ0[C@@H]1(P(C2=CC=CC=C2)C3=CC=CC=C3)CCCC1C4[C@H](P(C5=CC=CC=C5)C6=CC=CC=C6)CCC4InChI=1S/C34H36P2/c1-5-15-27(16-6-1)35(28-17-7-2-8-18-28)33-25-13-23-31(33)32-24-14-26-34(32)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-22,31-34H,13-14,23-26H2/t31?,32?,33-,34-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?5b434040485d3128502843323d43433d43433d43322943333d43433d43433d433329434343433143345b4340485d28502843353d43433d43433d43352943363d43433d43433d43362943434334
20
21/12/0210DSMB4Rh(COD)2BF4SDP12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C1CCC25CCC6=C5C(P(C7=CC=CC=C7)C8=CC=CC=C8)=CC=C6InChI=1S/C41H34P2/c1-5-17-33(18-6-1)42(34-19-7-2-8-20-34)37-25-13-15-31-27-29-41(39(31)37)30-28-32-16-14-26-38(40(32)41)43(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-26H,27-30H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d4328502843333d43433d43433d43332943343d43433d43433d433429433d43433d43314343433235434343363d43354328502843373d43433d43433d43372943383d43433d43433d4338293d43433d4336
21
21/12/0210DSMB5Rh(COD)2BF4FAP12DCM:MeOH (0.5:2.2)2.7602518PZQ0O=C(N[C@@H]1[C@@H](NC(C2=C[C-]=CC2P(C3=CC=CC=C3)C4=CC=CC=C4)=O)CCCC1)C5=CC=CC5P(C6=CC=CC=C6)C7=CC=CC=C7.C8=C[CH-]C=C8.[Fe+2].C9=C[CH-]C=C9.[Fe+2]InChI=1S/C42H38N2O2P2.2C5H5.2Fe/c45-41(35-25-15-29-39(35)47(31-17-5-1-6-18-31)32-19-7-2-8-20-32)43-37-27-13-14-28-38(37)44-42(46)36-26-16-30-40(36)48(33-21-9-3-10-22-33)34-23-11-4-12-24-34;2*1-2-4-5-3-1;;/h1-12,15-26,29-30,37-38H,13-14,27-28H2,(H,43,45)(H,44,46);2*1-5H;;/q-2;2*-1;2*+2/t37-,38-;;;;/m0..../s1#NAME?http://www.daylight.com/daycgi/smi2gif?4f3d43284e5b434040485d315b434040485d284e432843323d435b432d5d3d434332502843333d43433d43433d43332943343d43433d43433d4334293d4f2943434343312943353d43433d434335502843363d43433d43433d43362943373d43433d43433d43372e43383d435b43482d5d433d43382e5b46652b325d2e43393d435b43482d5d433d43392e5b46652b325d
22
21/12/0210DSMB6Rh(COD)2BF4JosiPhos 212-112DCM:MeOH (0.5:2.2)2.7602518PZQtraceCC(P(C(C)(C)C)C(C)(C)C)C1=CCC=C1P(C2=CC=CO2)C3=CC=CO3.C4=C[CH-]C=C4.[Fe+2]InChI=1S/C23H32O2P2.C5H5.Fe/c1-17(27(22(2,3)4)23(5,6)7)18-11-8-12-19(18)26(20-13-9-15-24-20)21-14-10-16-25-21;1-2-4-5-3-1;/h9-17H,8H2,1-7H3;1-5H;/q;-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?434328502843284329284329432943284329284329432943313d4343433d4331502843323d43433d434f322943333d43433d434f332e43343d435b43482d5d433d43342e5b46652b325d
23
21/12/0210DSMC1Rh(COD)2BF4C2-TunePhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=C1C5=C(OCCO2)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7InChI=1S/C38H30O2P2/c1-5-15-29(16-6-1)41(30-17-7-2-8-18-30)35-25-13-23-33-37(35)38-34(40-28-27-39-33)24-14-26-36(38)42(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-26H,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d434328502843333d43433d43433d43332943343d43433d43433d4334293d433143353d43284f43434f3229433d43433d4335502843363d43433d43433d43362943373d43433d43433d4337
24
21/12/0210DSMC2Rh(COD)2BF4BinaPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=CC=C1C=CC(OP3OCCO3)=C2C4=C(C=CC=C5)C5=CC=C4P(C6=CC=CC=C6)C7=CC=CC=C7InChI=1S/C34H26O3P2/c1-3-13-27(14-4-1)38(28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)34(32)33-29-17-9-7-11-25(29)19-21-31(33)37-39-35-23-24-36-39/h1-22H,23-24H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d4343284f50334f43434f33293d433243343d4328433d43433d43352943353d43433d4334502843363d43433d43433d43362943373d43433d43433d4337
25
21/12/0210DSMC3Rh(COD)2BF4MeBICP (3,5-Me)12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC1=CC(C)=CC(P(C2=CC(C)=CC(C)=C2)[C@@H]3CCCC3C4CCC[C@H]4P(C5=CC(C)=CC(C)=C5)C6=CC(C)=CC(C)=C6)=C1InChI=1S/C42H52P2/c1-27-15-28(2)20-35(19-27)43(36-21-29(3)16-30(4)22-36)41-13-9-11-39(41)40-12-10-14-42(40)44(37-23-31(5)17-32(6)24-37)38-25-33(7)18-34(8)26-38/h15-26,39-42H,9-14H2,1-8H3/t39?,40?,41-,42-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?4343313d43432843293d434328502843323d43432843293d43432843293d4332295b434040485d33434343433343344343435b4340485d34502843353d43432843293d43432843293d43352943363d43432843293d43432843293d4336293d4331
26
21/12/0210DSMC4Rh(COD)2BF4Xyl-SDP12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC1=CC(P(C2=CC(C)=CC(C)=C2)C3=CC=CC(CC4)=C3C54C6=C(C=CC=C6P(C7=CC(C)=CC(C)=C7)C8=CC(C)=CC(C)=C8)CC5)=CC(C)=C1InChI=1S/C49H50P2/c1-31-19-32(2)24-41(23-31)50(42-25-33(3)20-34(4)26-42)45-13-9-11-39-15-17-49(47(39)45)18-16-40-12-10-14-46(48(40)49)51(43-27-35(5)21-36(6)28-43)44-29-37(7)22-38(8)30-44/h9-14,19-30H,15-18H2,1-8H3#NAME?http://www.daylight.com/daycgi/smi2gif?4343313d434328502843323d43432843293d43432843293d43322943333d43433d434328434334293d433343353443363d4328433d43433d4336502843373d43432843293d43432843293d43372943383d43432843293d43432843293d433829434335293d43432843293d4331
27
21/12/0210DSMC5Rh(COD)2BF4DiPamp12DCM:MeOH (0.5:2.2)2.7602518PZQ0COC(C=CC=C1)=C1P(C2=CC=CC=C2)CCP(C3=CC=CC=C3)C4=CC=CC=C4OCInChI=1S/C28H28O2P2/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2/h3-20H,21-22H2,1-2H3#NAME?http://www.daylight.com/daycgi/smi2gif?434f4328433d43433d4331293d4331502843323d43433d43433d4332294343502843333d43433d43433d43332943343d43433d43433d43344f43
28
21/12/0210DSMC6Rh(COD)2BF4QuianPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C1(C2=C(C=CC=C3)C3=CC=C2OP(N4[C@H](C5=CC=CC6=C5C=CC=C6)C=CC7=C4C(P(C8=CC=CC=C8)C9=CC=CC=C9)=CC=C7)O%10)=C%10C=CC%11=C1C=CC=C%11InChI=1S/C51H35NO2P2/c1-3-20-39(21-4-1)55(40-22-5-2-6-23-40)48-28-14-19-38-29-32-45(44-27-13-18-35-15-7-10-24-41(35)44)52(51(38)48)56-53-46-33-30-36-16-8-11-25-42(36)49(46)50-43-26-12-9-17-37(43)31-34-47(50)54-56/h1-34,45H/t45-/m0/s1#NAME?http://www.daylight.com/daycgi/smi2gif?43312843323d4328433d43433d43332943333d43433d43324f50284e345b4340485d2843353d43433d4343363d4335433d43433d433629433d4343373d43344328502843383d43433d43433d43382943393d43433d43433d4339293d43433d4337294f253130293d43253130433d43432531313d4331433d43433d43253131
29
21/12/0210DSMD1Rh(COD)2BF4C4-TunePhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=C1C5=C(OCCCCO2)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7InChI=1S/C40H34O2P2/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,15-28H,13-14,29-30H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d434328502843333d43433d43433d43332943343d43433d43433d4334293d433143353d43284f434343434f3229433d43433d4335502843363d43433d43433d43362943373d43433d43433d4337
30
21/12/0210DSMD2Rh(COD)2BF4Me-DuPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C[C@H](CC[C@H]1C)P1C2=CC=CC=C2P3[C@H](C)CC[C@H]3CInChI=1S/C18H28P2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b4340485d2843435b4340485d314329503143323d43433d43433d433250335b4340485d28432943435b4340485d3343
31
21/12/0210DSMD3Rh(COD)2BF4TangPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(C)(C)P1CCCC1C2P(C(C)(C)C)CCC2InChI=1S/C16H32P2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h13-14H,7-12H2,1-6H3#NAME?http://www.daylight.com/daycgi/smi2gif?4343284329284329503143434343314332502843284329284329432943434332
32
21/12/0210DSMD4Rh(COD)2BF4PhanePhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=C(CCC(C=C3)=C(P(C4=CC=CC=C4)C5=CC=CC=C5)C=C3CC2)C=C1P(C6=CC=CC=C6)C7=CC=CC=C7InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d432843434328433d4333293d4328502843343d43433d43433d43342943353d43433d43433d433529433d433343433229433d4331502843363d43433d43433d43362943373d43433d43433d4337
33
21/12/0210DSMD5Rh(COD)2BF4f-Binaphane12DCM:MeOH (0.5:2.2)2.7602518PZQ0[C@@]1([C@]2=C(C=CC=C3)C3=CC=C2CP(C4=CC=C[CH-]4)C5)=C5C=CC6=C1C=CC=C6.[C@@]7([C@]8=C(C=CC=C9)C9=CC=C8CP(C%10=CC=C[CH-]%10)C%11)=C%11C=CC%12=C7C=CC=C%12.[Fe+2]InChI=1S/2C27H20P.Fe/c2*1-5-11-24-19(7-1)13-15-21-17-28(23-9-3-4-10-23)18-22-16-14-20-8-2-6-12-25(20)27(22)26(21)24;/h2*1-16H,17-18H2;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?5b4340405d31285b43405d323d4328433d43433d43332943333d43433d433243502843343d43433d435b43482d5d34294335293d4335433d4343363d4331433d43433d43362e5b4340405d37285b43405d383d4328433d43433d43392943393d43433d4338435028432531303d43433d435b43482d5d2531302943253131293d43253131433d43432531323d4337433d43433d432531322e5b46652b325d
34
21/12/0210DSMD6Rh(COD)2BF4JosiPhos 8-112DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(P(C1=CC(C)=CC(C)=C1)C2=CC=C(C)C=C2C)C3C=[C-]C=C3P(C4=CC=C(C(F)(F)F)C=C4C(F)(F)F)C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5.[Fe+2].C6=CC=C[CH-]6InChI=1S/C39H31F12P2.C5H5.Fe/c1-21-9-11-33(24(4)14-21)52(29-15-22(2)13-23(3)16-29)25(5)31-7-6-8-34(31)53(30-18-27(37(43,44)45)17-28(19-30)38(46,47)48)35-12-10-26(36(40,41)42)20-32(35)39(49,50)51;1-2-4-5-3-1;/h7-20,25,31H,1-5H3;1-5H;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?434328502843313d43432843293d43432843293d43312943323d43433d43284329433d433243294333433d5b432d5d433d4333502843343d43433d4328432846292846294629433d433443284629284629462943353d4343284328462928462946293d4343284328462928462946293d43352e5b46652b325d2e43363d43433d435b43482d5d36
35
21/12/0210DSME1Rh(COD)2BF4DM-SegPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=C(OCO2)C(C3=C(OCO4)C4=CC=C3P(C5=CC=CC=C5)C6=CC=CC=C6)=C(P(C7=CC=CC=C7)C8=CC=CC=C8)C=C1InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43284f434f3229432843333d43284f434f342943343d43433d4333502843353d43433d43433d43352943363d43433d43433d4336293d4328502843373d43433d43433d43372943383d43433d43433d433829433d4331
36
21/12/0210DSME2Rh(COD)2BF4Et-DuPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC[C@H](CC[C@H]1CC)P1C2=CC=CC=C2P3[C@H](CC)CC[C@H]3CCInChI=1S/C22H36P2/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4/h9-12,17-20H,5-8,13-16H2,1-4H3#NAME?http://www.daylight.com/daycgi/smi2gif?43435b4340485d2843435b4340485d31434329503143323d43433d43433d433250335b4340485d2843432943435b4340485d334343
37
21/12/0210DSME3Rh(COD)2BF4DuanPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0[H][C@@]1([P@](C(C)(C)C)CC2=C1C=CC=C2)C3[P@@](C(C)(C)C)CC4=C3C=CC=C4InChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21-,22?,25?,26?/m1/s1#NAME?#N/A#N/A
38
21/12/0210DSME4Rh(COD)2BF4CTH-PhanePhos12DCM:MeOH (0.5:2.2)2.7602518PZQtraceCC1=CC(C)=CC(P(C2=CC(C)=CC(C)=C2)C3=C(CCC4=CC(P(C5=CC(C)=CC(C)=C5)C6=CC(C)=CC(C)=C6)=C7C=C4)C=CC(CC7)=C3)=C1InChI=1S/C48H50P2/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3#NAME?http://www.daylight.com/daycgi/smi2gif?4343313d43432843293d434328502843323d43432843293d43432843293d43322943333d4328434343343d434328502843353d43432843293d43432843293d43352943363d43432843293d43432843293d4336293d4337433d433429433d434328434337293d4333293d4331
39
21/12/0210DSME5Rh(COD)2BF4FerriPhos NMe212DCM:MeOH (0.5:2.2)2.7602518PZQ0C[C@H](N(C)C)C1=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C=C[CH-]1.C[C@H](C(C)C)C4=C(P(C5=CC=CC=C5)C6=CC=CC=C6)C=C[CH-]4.[Fe+2]InChI=1S/C22H24P.C21H23NP.Fe/c1-17(2)18(3)21-15-10-16-22(21)23(19-11-6-4-7-12-19)20-13-8-5-9-14-20;1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-18H,1-3H3;4-17H,1-3H3;/q2*-1;+2/t18-;17-;/m10./s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b4340485d284e284329432943313d4328502843323d43433d43433d43322943333d43433d43433d433329433d435b43482d5d312e435b4340485d2843284329432943343d4328502843353d43433d43433d43352943363d43433d43433d433629433d435b43482d5d342e5b46652b325d
40
21/12/0210DSME6Rh(COD)2BF4MandyPhos 1-112DCM:MeOH (0.5:2.2)2.7602518PZQ0CN(C)[C@]([H])(C1=CC=CC=C1)C2=[C-]C=CC2P(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)[C@]([H])(C5=CC=CC=C5)C6=[C-]C=CC6P(C7=CC=CC=C7)C8=CC=CC=C8.[Fe+2]InChI=1S/2C26H25NP.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h2*3-18,20,25-26H,1-2H3;/q2*-1;+2/t2*25?,26-;/m11./s1#NAME?http://www.daylight.com/daycgi/smi2gif?434e2843295b43405d285b485d292843313d43433d43433d43312943323d5b432d5d433d434332502843333d43433d43433d43332943343d43433d43433d43342e434e2843295b43405d285b485d292843353d43433d43433d43352943363d5b432d5d433d434336502843373d43433d43433d43372943383d43433d43433d43382e5b46652b325d
41
21/12/0210DSMF1Rh(COD)2BF4Kelliphate12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(C)(C)C1=CC(C)=C(C)[C@@]2=C1OP(OC3=[C@@]2C(C)=C(C)C=C3C(C)(C)C)CC4=CC=CC=C4C5=CC=CC=C5CP6OC(C(C(C)(C)C)=CC(C)=C7C)=[C@@]7[C@](C(C)=C(C)C=C8C(C)(C)C)=C8O6InChI=1S/C62H76O4P2/c1-35-29-47(59(9,10)11)55-51(39(35)5)52-40(6)36(2)30-48(60(12,13)14)56(52)64-67(63-55)33-43-25-21-23-27-45(43)46-28-24-22-26-44(46)34-68-65-57-49(61(15,16)17)31-37(3)41(7)53(57)54-42(8)38(4)32-50(58(54)66-68)62(18,19)20/h21-32H,33-34H2,1-20H3#NAME?http://www.daylight.com/daycgi/smi2gif?434328432928432943313d43432843293d432843295b4340405d323d43314f50284f43333d5b4340405d32432843293d43284329433d43334328432928432943294343343d43433d43433d433443353d43433d43433d43354350364f432843284328432928432943293d43432843293d433743293d5b4340405d375b43405d28432843293d43284329433d43384328432928432943293d43384f36
42
21/12/0210DSMF2Rh(COD)2BF4Me-BPE12DCM:MeOH (0.5:2.2)2.7602518PZQ0C[C@H](CC[C@H]1C)P1CCP2[C@H](C)CC[C@H]2CInChI=1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b4340485d2843435b4340485d3143295031434350325b4340485d28432943435b4340485d3243
43
21/12/0210DSMF3Rh(COD)2BF4Binapine12DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(C)(C)P1C(C2=C(C3=C(C1)C=CC4=C3C=CC=C4)C(C=CC=C5)=C5C=C2)[C@@](P(C(C)(C)C)C6)([H])C7=CC=C8C(C=CC=C8)=C7C9=C6C=CC%10=CC=CC=C%109InChI=1S/C52H48P2/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46/h7-30,49-50H,31-32H2,1-6H3/t49-,50?,53?,54?/m1/s1#NAME?#N/A#N/A
44
21/12/0210DSMF4Rh(COD)2BF4Catasium d(R)12DCM:MeOH (0.5:2.2)2.7602518PZQ0[C@H]1(P(C2=CC=CC=C2)C3=CC=CC=C3)[C@H](P(C4=CC=CC=C4)C5=CC=CC=C5)CN(CC6=CC=CC=C6)C1InChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2/t34-,35-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?5b4340485d3128502843323d43433d43433d43322943333d43433d43433d4333295b4340485d28502843343d43433d43433d43342943353d43433d43433d433529434e284343363d43433d43433d4336294331
45
21/12/0210DSMF5Rh(COD)2BF4TaniaPhos 112DCM:MeOH (0.5:2.2)2.7602518PZQ0[H]C(C1=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C=CC=C1)(N(C)C)[C-]4C(P(C5=CC=CC=C5)C6=CC=CC=C6)=CC=C4.C7=C[CH-]C=C7.[Fe+2]InChI=1S/C38H34NP2.C5H5.Fe/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-2-4-5-3-1;/h3-29,38H,1-2H3;1-5H;/q2*-1;+2/t38-;;/m1../s1#NAME?http://www.daylight.com/daycgi/smi2gif?5b485d432843313d4328502843323d43433d43433d43322943333d43433d43433d433329433d43433d433129284e28432943295b432d5d344328502843353d43433d43433d43352943363d43433d43433d4336293d43433d43342e43373d435b43482d5d433d43372e5b46652b325d
46
21/12/0210DSMF6Rh(COD)2BF4WalPhos 112DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(P(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=C(C4=C(P(C5=CC=CC=[C-]5)C6=CC=CC=C6)C=CC=C4)CC=C3.C7=CC=CC7.[Fe+2]InChI=1S/C41H27F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h2-15,18-25H,17H2,1H3;1-2,5H,3H2;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?434328502843313d4343284328462928462946293d4343284328462928462946293d43312943323d4343284328462928462946293d4343284328462928462946293d43322943333d432843343d4328502843353d43433d43433d5b432d5d352943363d43433d43433d433629433d43433d43342943433d43332e43373d43433d4343372e5b46652b325d
47
21/12/0210DSMG1Rh(COD)2BF4BiPheP12DCM:MeOH (0.5:2.2)2.7602518PZQ0COC1=CC=CC(P(C2=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C2)C3=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C3)=C1C4=C(OC)C=CC=C4P(C5=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C5)C6=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C6InChI=1S/C74H104O6P2/c1-67(2,3)49-37-45(38-50(63(49)77-27)68(4,5)6)81(46-39-51(69(7,8)9)64(78-28)52(40-46)70(10,11)12)59-35-31-33-57(75-25)61(59)62-58(76-26)34-32-36-60(62)82(47-41-53(71(13,14)15)65(79-29)54(42-47)72(16,17)18)48-43-55(73(19,20)21)66(80-30)56(44-48)74(22,23)24/h31-44H,1-30H3#NAME?#N/A#N/A
48
21/12/0210DSMG2Rh(COD)2BF4QuinoxP*12DCM:MeOH (0.5:2.2)2.7602518PZQ0CP(C(C)(C)C)C1=NC2=CC=CC=C2N=C1P(C(C)(C)C)CInChI=1S/C18H28N2P2/c1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15/h9-12H,1-8H3#NAME?http://www.daylight.com/daycgi/smi2gif?43502843284329284329432943313d4e43323d43433d43433d43324e3d4331502843284329284329432943
49
21/12/0210DSMG3Rh(COD)2BF4Prohos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C[C@@H](P(C1=CC=CC=C1)C2=CC=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4InChI=1S/C27H26P2/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,23H,22H2,1H3#NAME?#N/A#N/A
50
21/12/0210DSMG4Rh(COD)2BF4Kanata DACH12DCM:MeOH (0.5:2.2)2.7602518PZQ0C1(P(C2=C(CN[C@@H]3[C@H](NCC4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)CCCC3)C=CC=C2)C7=CC=CC=C7)=CC=CC=C1InChI=1S/C44H44N2P2/c1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-14,17-28,31-32,41-42,45-46H,15-16,29-30,33-34H2/t41-,42+#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d4328434e5b434040485d335b4340485d284e4343343d43433d43433d4334502843353d43433d43433d43352943363d43433d43433d433629434343433329433d43433d43322943373d43433d43433d4337293d43433d43433d4331
51
21/12/0210DSMG5Rh(COD)2BF4TaniaPhos 212DCM:MeOH (0.5:2.2)2.7602518PZQ0CN(C)[C@H](C1=C(C(C2CCCCC2)C3CCCCC3)C=CC=C1)C4=C(P(C5CCCCC5)C6CCCCC6)[C-]=CC4.C7=C[C-]=CC7.[Fe+2]InChI=1S/C39H59NP.C5H5.Fe/c1-40(2)39(36-28-17-29-37(36)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)35-27-16-15-26-34(35)38(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-2-4-5-3-1;/h15-17,26-27,30-33,38-39H,3-14,18-25,28H2,1-2H3;1-2,5H,3H2;/q2*-1;+2/t39-;;/m1../s1#NAME?http://www.daylight.com/daycgi/smi2gif?434e2843295b4340485d2843313d43284328433243434343433229433343434343433329433d43433d43312943343d432850284335434343434335294336434343434336295b432d5d3d4343342e43373d435b432d5d3d4343372e5b46652b325d
52
21/12/0210DSMG6Rh(COD)2BF4WalPhos 212DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(P(C1=CC=CC=C1)C2=CC=CC=C2)C3=C(C4=C(P(C5=CC=CC=C5)C6=CC=CC=C6)C=CC=C4)CC=[C-]3.C7=C[C-]=CC7.[Fe+2]InChI=1S/C37H31P2.C5H5.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h2-25,28-29H,27H2,1H3;1-2,5H,3H2;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?434328502843313d43433d43433d43312943323d43433d43433d43322943333d432843343d4328502843353d43433d43433d43352943363d43433d43433d433629433d43433d43342943433d5b432d5d332e43373d435b432d5d3d4343372e5b46652b325d
53
21/12/0210DSMH1Rh(COD)2BF4Binaphane12DCM:MeOH (0.5:2.2)2.7602518PZQ0C12=CC=CC=C1C=CC3=C2C4=C(C=CC=C5)C5=CC=C4CP(C6=CC=CC=C6P7CC8=CC=C9C(C=CC=C9)=C8C%10=C(C7)C=CC%11=CC=CC=C%11%10)C3InChI=1S/C50H36P2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-28H,29-32H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d4343333d433243343d4328433d43433d43352943353d43433d433443502843363d43433d43433d433650374343383d43433d43394328433d43433d4339293d4338432531303d4328433729433d43432531313d43433d43433d43253131253130294333
54
21/12/0210DSMH2Rh(COD)2BF4NorPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0[C@H]12C=C[C@@H](C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H]1P(C5=CC=CC=C5)C6=CC=CC=C6InChI=1S/C31H28P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,24-25,30-31H,23H2/t24-,25+,30?,31?#NAME?http://www.daylight.com/daycgi/smi2gif?5b4340485d3132433d435b434040485d284332295b434040485d28502843333d43433d43433d43332943343d43433d43433d4334295b434040485d31502843353d43433d43433d43352943363d43433d43433d4336
55
21/12/0210DSMH3Rh(COD)2BF4ChiraPhos12DCM:MeOH (0.5:2.2)2.7602518PZQ0C[C@H](P(C1=CC=CC=C1)C2=CC=CC=C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)CInChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3#NAME?http://www.daylight.com/daycgi/smi2gif?435b4340485d28502843313d43433d43433d43312943323d43433d43433d4332295b434040485d28502843333d43433d43433d43332943343d43433d43433d43342943
56
21/12/0210DSMH4Rh(COD)2BF4Catasium T212DCM:MeOH (0.5:2.2)2.7602518PZQ0CC1=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=C(P(C5=CC(C)=CC(C)=C5)C6=CC(C)=CC(C)=C6)[C@H]7CC[C@@]4(C)C7(C)C)=C(C)S1InChI=1S/C44H48P2S/c1-28-22-29(2)25-36(24-28)46(37-26-30(3)23-31(4)27-37)42-38-20-21-44(9,43(38,7)8)40(42)39-32(5)47-33(6)41(39)45(34-16-12-10-13-17-34)35-18-14-11-15-19-35/h10-19,22-27,38H,20-21H2,1-9H3/t38-,44-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?4343313d4328502843323d43433d43433d43322943333d43433d43433d433329432843343d4328502843353d43432843293d43432843293d43352943363d43432843293d43432843293d4336295b4340485d3743435b4340405d34284329433728432943293d432843295331
57
21/12/0210DSMH5Rh(COD)2BF4JosiPhos 2-112DCM:MeOH (0.5:2.2)2.7602518PZQtraceCC(P(C(C)(C)C)C(C)(C)C)C1=[C-]CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2].C4=CC=C[CH-]4InChI=1S/C27H35P2.C5H5.Fe/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h8-13,15-18,20-21H,14H2,1-7H3;1-5H;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?434328502843284329284329432943284329284329432943313d5b432d5d43433d4331502843323d43433d43433d43322943333d43433d43433d43332e5b46652b325d2e43343d43433d435b43482d5d34
58
21/12/0210DSMH6Rh(COD)2BF4WalPhos812DCM:MeOH (0.5:2.2)2.7602518PZQ0CC(P(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=CCC=C3C4=C(P(C5CCCCC5)C6CCCCC6)C=CC=C4.[Fe+2].C7=CC=C[CH-]7InChI=1S/C41H39F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h8-9,15,17-25,30-31H,2-7,10-14H2,1H3;1-5H;/q2*-1;+2#NAME?http://www.daylight.com/daycgi/smi2gif?434328502843313d4343284328462928462946293d4343284328462928462946293d43312943323d4343284328462928462946293d4343284328462928462946293d43322943333d4343433d433343343d43285028433543434343433529433643434343433629433d43433d43342e5b46652b325d2e43373d43433d435b43482d5d37
59
22/09/2011DSMRh(NBD)2BF4 S-PhanePhos 5trifluoro ethanol5602516PZQ 10020C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
60
22/09/2011DSMRh(NBD)2BF4 S-PhanePhos 5trifluoro ethanol5rt 2516PZQ 10021C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
61
22/09/2011DSM[Ru(p-Cymene)I]2 S-PhanePhos 5EtOH 5rt 2516PZQ 1n.d.C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
62
22/09/2011DSM[Ru(p-Cymene)I]2 SL-M004-1 5EtOH 5rt 2516PZQ 0-C[C@](C1=CC=CC=C1)(N(C)C)C2=CC=[C-]C2P(C3=CC(C)=C(OC)C(C)=C3)C4=CC(C)=C(OC)C(C)=C4.[H][C@](C5=CC=CC=C5)(N(C)C)C6=[C-]CC=C6P(C7=CC(C)=C(OC)C(C)=C7)C8=CC(C)=C(OC)C(C)=C8.[Fe+2]InChI=1S/C33H39NO2P.C32H37NO2P.Fe/c1-22-18-27(19-23(2)31(22)35-8)37(28-20-24(3)32(36-9)25(4)21-28)30-17-13-16-29(30)33(5,34(6)7)26-14-11-10-12-15-26;1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;/h10-16,18-21,30H,1-9H3;9-11,13-14,16-20,30H,12H2,1-8H3;/q2*-1;+2/t30?,33-;30-;/m11./s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b43405d2843313d43433d43433d433129284e284329432943323d43433d5b432d5d4332502843333d43432843293d43284f4329432843293d43332943343d43432843293d43284f4329432843293d43342e5b485d5b43405d2843353d43433d43433d433529284e284329432943363d5b432d5d43433d4336502843373d43432843293d43284f4329432843293d43372943383d43432843293d43284f4329432843293d43382e5b46652b325d
63
22/09/2011DSM[Ru(p-Cymene)I]2 SL-M004-1 5EtOH 5rt 2516PZQ-Ph 0-C[C@](C1=CC=CC=C1)(N(C)C)C2=CC=[C-]C2P(C3=CC(C)=C(OC)C(C)=C3)C4=CC(C)=C(OC)C(C)=C4.[H][C@](C5=CC=CC=C5)(N(C)C)C6=[C-]CC=C6P(C7=CC(C)=C(OC)C(C)=C7)C8=CC(C)=C(OC)C(C)=C8.[Fe+2]InChI=1S/C33H39NO2P.C32H37NO2P.Fe/c1-22-18-27(19-23(2)31(22)35-8)37(28-20-24(3)32(36-9)25(4)21-28)30-17-13-16-29(30)33(5,34(6)7)26-14-11-10-12-15-26;1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;/h10-16,18-21,30H,1-9H3;9-11,13-14,16-20,30H,12H2,1-8H3;/q2*-1;+2/t30?,33-;30-;/m11./s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b43405d2843313d43433d43433d433129284e284329432943323d43433d5b432d5d4332502843333d43432843293d43284f4329432843293d43332943343d43432843293d43284f4329432843293d43342e5b485d5b43405d2843353d43433d43433d433529284e284329432943363d5b432d5d43433d4336502843373d43432843293d43284f4329432843293d43372943383d43432843293d43284f4329432843293d43382e5b46652b325d
64
22/09/2011DSM[Ru(p-Cymene)I]2 S-PhanePhos 5EtOH 5rt 2516PZQ-Ph 0-C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
65
22/09/2011DSMRh(NBD)2BF4 S-PhanePhos 5trifluoro ethanol5rt 2516PZQ-Ph 0-C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
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22/09/2011DSMRh(NBD)2BF4 S-PhanePhos 5trifluoro ethanol5602516PZQ-Ph 3n.d.C1(P(C2=CC=CC=C2)C3=CC(CC4)=CC=C3CCC5=CC(P(C6=CC=CC=C6)C7=CC=CC=C7)=C4C=C5)=CC=CC=C1InChI=1S/C40H34P2/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-22,25-26,29-30H,23-24,27-28H2#NAME?http://www.daylight.com/daycgi/smi2gif?433128502843323d43433d43433d43322943333d434328434334293d43433d4333434343353d434328502843363d43433d43433d43362943373d43433d43433d4337293d4334433d4335293d43433d43433d4331
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22/09/2011DSMRh(NBD)2BF4 JosiPhos J009-1 5trifluoro ethanol5rt 2516PZQ-Ph 21-79[H][C@@](P(C(C)(C)C)C(C)(C)C)(C)C1=[C-]CC=C1C(C2CCCCC2)C3CCCCC3InChI=1S/C28H48P/c1-21(29(27(2,3)4)28(5,6)7)24-19-14-20-25(24)26(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h20-23,26H,8-18H2,1-7H3/q-1/t21-/m1/s1#NAME?http://www.daylight.com/daycgi/smi2gif?5b485d5b4340405d28502843284329284329432943284329284329432928432943313d5b432d5d43433d433143284332434343434332294333434343434333
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22/09/2011DSMRh(NBD)2BF4 TaniaPhos T002-2 5trifluoro ethanol5rt 2516PZQ-Ph 021C[C@](C(C)C)(C1=CC=CC=C1P(C2CCCCC2)C3CCCCC3)C4=[C-]CC=C4P(C5CCCCC5)C6CCCCC6.[Fe+2].[C-]7=CC=CC7InChI=1S/C40H61P2.C5H5.Fe/c1-31(2)40(3,37-28-18-30-39(37)42(34-23-12-6-13-24-34)35-25-14-7-15-26-35)36-27-16-17-29-38(36)41(32-19-8-4-9-20-32)33-21-10-5-11-22-33;1-2-4-5-3-1;/h16-17,27,29-35H,4-15,18-26H2,1-3H3;1-3H,4H2;/q2*-1;+2/t40-;;/m0../s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b43405d284328432943292843313d43433d43433d4331502843324343434343322943334343434343332943343d5b432d5d43433d4334502843354343434343352943364343434343362e5b46652b325d2e5b432d5d373d43433d434337
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22/09/2011DSMRh(NBD)2BF4 Binap 5trifluoro ethanol5rt 2516PZQ-Ph 0n.d.C12=CC=CC=C1C=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=C2C5=C(C=CC=C6)C6=CC=C5P(C7=CC=CC=C7)C8=CC=CC=C8InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d434328502843333d43433d43433d43332943343d43433d43433d4334293d433243353d4328433d43433d43362943363d43433d4335502843373d43433d43433d43372943383d43433d43433d4338
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22/09/2011DSMRh(NBD)2BF4 PipPhos 5trifluoro ethanol5rt 2516PZQ-Ph 0-C12=CC=CC=C1C=CC3=C2C4=C(C=CC=C5)C5=CC=C4OP(N6CCCCC6)O3InChI=1S/C25H22NO2P/c1-6-16-26(17-7-1)29-27-22-14-12-18-8-2-4-10-20(18)24(22)25-21-11-5-3-9-19(21)13-15-23(25)28-29/h2-5,8-15H,1,6-7,16-17H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d4343333d433243343d4328433d43433d43352943353d43433d43344f50284e36434343434336294f33
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22/09/2011DSMRh(NBD)2BF4 JosiPhos J009-1 5trifluoro ethanol5rt 2516PZQ 10017CC(C)(P(C(C)(C)C)C(C)(C)C)C1=[C-]CC=C1P(C2CCCCC2)C3CCCCC3.[Fe+2].[C-]4=CC=CC4InChI=1S/C28H49P2.C5H5.Fe/c1-26(2,3)30(27(4,5)6)28(7,8)24-20-15-21-25(24)29(22-16-11-9-12-17-22)23-18-13-10-14-19-23;1-2-4-5-3-1;/h21-23H,9-19H2,1-8H3;1-3H,4H2;/q2*-1;+2#NAME?#N/A#N/A
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22/09/2011DSMRh(NBD)2BF4 TaniaPhos T002-2 5trifluoro ethanol5rt 2516PZQ 0-C[C@](C(C)C)(C1=CC=CC=C1P(C2CCCCC2)C3CCCCC3)C4=[C-]CC=C4P(C5CCCCC5)C6CCCCC6.[Fe+2].[C-]7=CC=CC7InChI=1S/C40H61P2.C5H5.Fe/c1-31(2)40(3,37-28-18-30-39(37)42(34-23-12-6-13-24-34)35-25-14-7-15-26-35)36-27-16-17-29-38(36)41(32-19-8-4-9-20-32)33-21-10-5-11-22-33;1-2-4-5-3-1;/h16-17,27,29-35H,4-15,18-26H2,1-3H3;1-3H,4H2;/q2*-1;+2/t40-;;/m0../s1#NAME?http://www.daylight.com/daycgi/smi2gif?435b43405d284328432943292843313d43433d43433d4331502843324343434343322943334343434343332943343d5b432d5d43433d4334502843354343434343352943364343434343362e5b46652b325d2e5b432d5d373d43433d434337
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22/09/2011DSMRh(NBD)2BF4 Binap 5trifluoro ethanol5rt 2516PZQ 26-20C12=CC=CC=C1C=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=C2C5=C(C=CC=C6)C6=CC=C5P(C7=CC=CC=C7)C8=CC=CC=C8InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d434328502843333d43433d43433d43332943343d43433d43433d4334293d433243353d4328433d43433d43362943363d43433d4335502843373d43433d43433d43372943383d43433d43433d4338
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22/09/2011DSMRh(NBD)2BF4 PipPhos 5trifluoro ethanol5rt 2516PZQ 389C12=CC=CC=C1C=CC3=C2C4=C(C=CC=C5)C5=CC=C4OP(N6CCCCC6)O3InChI=1S/C25H22NO2P/c1-6-16-26(17-7-1)29-27-22-14-12-18-8-2-4-10-20(18)24(22)25-21-11-5-3-9-19(21)13-15-23(25)28-29/h2-5,8-15H,1,6-7,16-17H2#NAME?http://www.daylight.com/daycgi/smi2gif?4331323d43433d43433d4331433d4343333d433243343d4328433d43433d43352943353d43433d43344f50284e36434343434336294f33
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