smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COCOC=1C=CC(=NC1)C(C(F)(F)F)(O[Si](C)(C)C)C>C1CCCO1.Cl>FC(C(C)(O)C1=NC=C(C=C1)OCOC)(F)F | 3 |
C(C)(C)(C)OC(=O)NCCCC(=O)O.Cl.NCC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O>N(C)(C)C=O.Cl.CN(CCCN=C=NCC)C.C1CCC2=NCCCN2CC1>C(C)(C)(C)OC(NCCCC(NCC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)=O | 3 |
COCC(=O)C1=CC=C(C=C1)N1N=CC=C1>>COCC(N)C1=CC=C(C=C1)N1N=CC=C1 | 5 |
CC1(N(CC(C1)CCCOS(=O)(=O)C)C(=O)OC(C)(C)C)C.ClC1=NC(=CC=C1C(=O)NS(=O)(=O)C=1C=NNC1C)N1N=C(C=C1)OCCC1(CC1)C(F)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=NC(=CC=C1C(=O)NS(=O)(=O)C=1C(=NN(C1)CCCC1CC(N(C1)C(=O)OC(C)(C)C)(C)C)C)N1N=C(C=C1)OCCC1(CC1)C(F)(F)F | 3 |
[Br-].C[Mg+].C(=O)C=1C=NC=CC1C=1C=C(C#N)C=CC1>>OC(C)C=1C=NC=CC1C=1C=C(C#N)C=CC1 | 5 |
[Si](C)(C)(C(C)(C)C)OC[C@H](CC=C)N(C(=O)NCC1=C(C(=CC=C1)F)F)C>>FC1=C(CNC(N(C)[C@H](CO)CC=C)=O)C=CC=C1F | 5 |
[F:1][C:2]1[CH:9]=[C:8](F)[C:7]([N+:11]([O-:13])=[O:12])=[CH:6][C:3]=1[C:4]#[N:5].[OH-].[NH4+:15]>CCO>[NH2:15][C:8]1[C:7]([N+:11]([O-:13])=[O:12])=[CH:6][C:3]([C:4]#[N:5])=[C:2]([F:1])[CH:9]=1 | 2 |
C([O-])([O-])=O.[Na+].[Na+].[C:7]([NH:10][N:11]=[C:12]([CH3:16])[C:13](O)=[O:14])(=[S:9])[NH2:8].Cl>O>[CH3:16][C:12]1[C:13](=[O:14])[NH:8][C:7](=[S:9])[NH:10][N:11]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:9]#[N:10])[CH:5]=[C:6]([CH:8]=1)[NH2:7].O=C(Cl)[O:13][C:14](Cl)(Cl)Cl.C(N(CC)CC)C.[NH2:26][C:27]1[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][C:28]=1[F:37]>O1CCCC1.O>[F:37][C:28]1[CH:29]=[C:30]([C:33]([F:35])([F:36])[F:34])[CH:31]=[CH:32][C:27]=1[NH:26][C:14]([NH:7][C:6]1[CH:8]=[C:2]([F:1])[CH:3]=[C:4]([C:9]#[N:10])[CH:5]=1)=[O:13] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:12](=[C:13]([NH:15][C:16](=[O:23])[C:17]3[CH:22]=[CH:21][CH:20]=[N:19][CH:18]=3)[CH:14]=1)[NH:11][C:10]1[CH:9]=[N:8][CH:7]=[C:6]([NH:24]C(=O)C(F)(F)F)[C:5]2=1.C([O-])([O-])=O.[K+].[K+]>CO>[NH2:24][C:6]1[C:5]2[C:4]3[C:12](=[C:13]([NH:15][C:16](=[O:23])[C:17]4[CH:22]=[CH:21][CH:20]=[N:19][CH:18]=4)[CH:14]=[C:2]([Cl:1])[CH:3]=3)[NH:11][C:10]=2[CH:9]=[N:8][CH:7]=1 | 1 |
C(C=C)(=O)OC(C=C)=O.FC1=C(C=CC(=C1)F)C1=C(C=C2C(=NC(N3C2=C1SC[C@@H]3COCC)=O)N3C[C@@H](N[C@@H](C3)C)C)C(F)(F)F>ClCCl.CCN(CC)CC>C(C=C)(=O)N1[C@H](CN(C[C@H]1C)C1=NC(N2C3=C(C(=C(C=C13)C(F)(F)F)C1=C(C=C(C=C1)F)F)SC[C@@H]2COCC)=O)C | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC1=C(C=CC2=C1C=CO2)F>c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].C[Al+]C>FC1=CC=C2C(C=CO2)=C1C#N | 3 |
C(=C)OCC.C(=C\CC#C)/O>C(C)OCC.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC(OCC)OC\C=C\C#C | 3 |
Cl.Cl.O=C1N(CC2=CC(=CC=C12)N1CCN(CC1)CC1CCNCC1)C1C(NC(CC1)=O)=O.BrCCN1CCN(CC1)C=1C=CC(=NC1)NC=1N=CC2=C(N1)N(C(=C2)C(=O)N(C)C)C2CCCC2>CC#N.C(C)(C)N(C(C)C)CC>C1(CCCC1)N1C(=CC2=C1N=C(N=C2)NC2=NC=C(C=C2)N2CCN(CC2)CCN2CCC(CC2)CN2CCN(CC2)C=2C=C1CN(C(C1=CC2)=O)C2C(NC(CC2)=O)=O)C(=O)N(C)C | 3 |
[Si](C)(C)(C(C)(C)C)OCCOC=1N=C(C2=C(N1)C(=C(N=C2)C2=CC(=CC1=CC=CC(=C21)CC)OCOC)F)N2CC1CCC(C2)N1C(=O)OC(C)(C)C>N(C)(C)C=O.[F-].[Cs+]>C(C)C=1C=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1CC2CCC(C1)N2C(=O)OC(C)(C)C)OCCO)F)OCOC | 3 |
N1C=CC2=CC(=CC=C12)C1=CN=C(S1)O[C@H]1C2CN3CC(CC1C3)C2>>N1C=CC2=CC(=CC=C12)C1=CN=C(S1)O[C@H]1C2C[N+]3(CC(CC1C3)C2)[O-] | 5 |
C(#N)CC(=O)O.ClC=1C=C(CNC(=O)N)C=CC1>C1CCCO1.C(C)(=O)OC(C)=O>ClC=1C=C(CNC(=O)NC(CC#N)=O)C=CC1 | 3 |
CC1(OB(OC1(C)C)CC1CCN(CC1)C(=O)OC(C)(C)C)C>ClCCl.C(=O)(C(F)(F)F)O>CC1(OB(OC1(C)C)CC1CCNCC1)C | 3 |
C(C1=CC=CC=C1)Br.OC1=CC=C(C=C1)[C@@]12CCC3([C@H]([C@@H]2CCC[C@@H]1O)C)OCCO3>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)[C@@]12CCC3([C@H]([C@@H]2CCC[C@@H]1O)C)OCCO3 | 5 |
Cl[C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[NH:11]1[CH2:15][C@H:14]([OH:16])[C@@H:13]([OH:17])[CH2:12]1>>[CH3:7][N:6]1[C:2]([N:11]2[CH2:15][C@H:14]([OH:16])[C@@H:13]([OH:17])[CH2:12]2)=[C:3]([N+:8]([O-:10])=[O:9])[CH:4]=[N:5]1 | 1 |
[F:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=O.[C:10]([CH2:15][CH:16]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)([O:12][CH2:13][CH3:14])=[O:11]>C1(C)C=CC=CC=1>[F:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1/[CH:4]=[C:15](\[CH3:16])/[C:10]([O:12][CH2:13][CH3:14])=[O:11] | 1 |
C[S-].[Na+].CN(CCNC(=O)C1=CC(=CC2=NC3=CC=C4C(=C3N=C12)C=CC=C4OC)Cl)C>>CN(CCNC(=O)C1=CC(=CC2=NC3=CC=C4C(=C3N=C12)C=CC=C4OC)SC)C | 5 |
[OH-].C(C)[N+](CC)(CC)CC.BrC=1C=C(C=CC1)C(=O)C(=O)C1=CC=CC=C1.C(CCCCCCCCCCC)C1=CC=C(C=C1)CC(CC1=CC=C(C=C1)CCCCCCCCCCCC)=O>C(C)(C)(C)O>BrC=1C=C(C=CC1)C1=C(C(C(=C1C1=CC=CC=C1)C1=CC=C(C=C1)CCCCCCCCCCCC)=O)C1=CC=C(C=C1)CCCCCCCCCCCC | 3 |
OC1=CC=C(C=C1)SC1CC(C1)=O>C1CCCO1.[Na+].[BH4-].[Cl-].[NH4+]>O[C@H]1C[C@H](C1)S(=O)(=O)C1=CC=C(C=C1)O | 3 |
COC1=CC=C(C=C1)C1CN(CC2=CC(=CC=C12)OCC1CCNCC1)C>ClCCl.CC(=O)C.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)(C)N1CCC(CC1)COC1=CC=C2C(CN(CC2=C1)C)C1=CC=C(C=C1)OC | 3 |
C1=CC=CC1>C[O-].[Na+].C(C1=CC=CC=C1)(=O)C1=CC=CC=C1>C1(=CC=CC=C1)C(=C1C=CC=C1)C1=CC=CC=C1 | 3 |
CS(=O)(=O)Cl.C(C(C)C)C=1C(=C(SC1)C1=NN=C(O1)C1=CC(=C(OCC(CO)O)C(=C1)C)C)C>C1CCCO1.CCN(CC)CC>NCC(COC1=C(C=C(C=C1C)C=1OC(=NN1)C=1SC=C(C1C)CC(C)C)C)O | 3 |
CC1(OC([C@@H](O1)CC(=O)OCOC(N(C)C(C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C[C@H](N(C2)C(C2=CC(=C(C=C2)Br)C(F)(F)F)=O)C)N[C@@H](C)C=C)=O)=O)=O)C>O.CO[H].C(=O)O>BrC1=C(C=C(C(=O)N2CC=3N=C(N(C(C3C[C@H]2C)=O)C2=CC=C(C(=O)N(C(=O)OCOC(C[C@@H](C(=O)O)O)=O)C)C=C2)N[C@@H](C)C=C)C=C1)C(F)(F)F | 3 |
NC(=O)C(C)(C)C1=CC=C(C=C1)Br>CC#N.O.C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F>BrC1=CC=C(C=C1)C(C)(C)N | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][CH:3]=1.[NH:9]1[CH2:14][CH2:13][S:12][CH2:11][CH2:10]1.C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].O>[Br:8][C:5]1[CH:6]=[CH:7][C:2]([N:9]2[CH2:14][CH2:13][S:12][CH2:11][CH2:10]2)=[CH:3][CH:4]=1 | 1 |
CC1C(C2=CC=CC=C2CC1)=O.COC(CCCCC=O)=O>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.CCCCCC>COC(CCCCC(C1(C(C2=CC=CC=C2CC1)=O)C)O)=O | 3 |
FC1=C(C=CC(=C1)S(=O)(=O)C)C1=CCC(CC1)OCC1CCN(CC1)C(=O)OC(C)(C)C>CCO[H].[HH].[Pd]>FC1=C(C=CC(=C1)S(=O)(=O)C)C1CCC(CC1)OCC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C1=CC=CC=C1)SSCC1=CC=CC=C1.BrC1=CC=C(C=C1)C1OCCCO1>>C(C1=CC=CC=C1)SC1=CC=C(C=C1)C1OCCO1 | 5 |
FC(CI)(F)F.C(O)S(=O)[O-].[Na+].S(C1=C(C=CC(=C1)C=1C(=NNC1)C(F)(F)F)C#N)C1=C(C=CC(=C1)C=1C(=NNC1)C(F)(F)F)C#N>>FC(CSC1=C(C#N)C=CC(=C1)C=1C(=NNC1)C(F)(F)F)(F)F | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([NH:11][CH:12]3[CH2:16][CH2:15][CH2:14][CH2:13]3)[CH:10]=1)[NH:7][C:6]([C:17]1[S:18][CH2:19][C@@H:20]([CH2:22][CH2:23][N:24]3[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]3)[N:21]=1)=[CH:5]2.[CH2:30]([S:32](Cl)(=[O:34])=[O:33])[CH3:31]>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([NH:11][CH:12]3[CH2:16][CH2:15][CH2:14][CH2:13]3)[CH:10]=1)[NH:7][C:6]([C:17]1[S:18][CH2:19][C@@H:20]([CH2:22][CH2:23][N:24]3[CH2:29][CH2:28][N:27]([S:32]([CH2:30][CH3:31])(=[O:34])=[O:33])[CH2:26][CH2:25]3)[N:21]=1)=[CH:5]2 | 1 |
[CH3:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[B:9]1[O:13][C:12]([CH3:15])([CH3:14])[C:11]([CH3:17])([CH3:16])[O:10]1.[F:18][C:19]([F:30])([F:29])[C:20]1[CH:21]=[C:22]([CH:26]=[CH:27][CH:28]=1)[C:23](Cl)=[O:24]>C1COCC1>[CH3:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][C:23](=[O:24])[C:22]2[CH:26]=[CH:27][CH:28]=[C:20]([C:19]([F:18])([F:29])[F:30])[CH:21]=2)=[CH:4][C:3]=1[B:9]1[O:10][C:11]([CH3:17])([CH3:16])[C:12]([CH3:15])([CH3:14])[O:13]1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[N:11]=[C:10]([N:12]2[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]2)[C:9]2[N:18]=[C:19]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[S:20][C:8]=2[C:7]=1[O:27]CC1C=CC=CC=1)=[O:5])[CH3:2]>C(O)C.C(OCC)(=O)C.[Pd]>[CH2:1]([O:3][C:4]([C:6]1[N:11]=[C:10]([N:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[C:9]2[N:18]=[C:19]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[S:20][C:8]=2[C:7]=1[OH:27])=[O:5])[CH3:2] | 1 |
FC1=CC2=C(N=C(S2)N)C=C1.ClC1=C(C=CC(=C1)Cl)NC1=C(C(=O)O)C=CC=N1>>FC1=CC2=C(N=C(S2)NC(C2=C(N=CC=C2)NC2=C(C=C(C=C2)Cl)Cl)=O)C=C1 | 5 |
[Br-].N1=C(C=CC=C1)[Zn+].ClC1=CC2=C(C=3N(CCO2)C=C(N3)I)C=N1>>ClC=1C=C2OCCN3C=C(N=C3C2=CN1)C1=NC=CC=C1 | 5 |
C[Si](C#C[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)(C)C>>C(C1=CC=CC=C1)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)C#C)COCC1=CC=CC=C1 | 5 |
N1C(CNCC1)=O.FC1=C(C=C(C=C1)F)[C@@H]1N(CCC1)C1=NC=2N(C=C1)N=CC2/C=C/C(=O)O>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(C=C(C=C1)F)[C@@H]1N(CCC1)C1=NC=2N(C=C1)N=CC2/C=C/C(=O)N2CC(NCC2)=O | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][CH:13]=1)[N:10]=[C:9]([C:14]([OH:16])=[O:15])[CH:8]=[N:7]2)([O-:3])=[O:2].S(=O)(=O)(O)O.C(=O)([O-])[O-].[Na+].[Na+].[CH2:28](O)[CH3:29]>>[N+:1]([C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][CH:13]=1)[N:10]=[C:9]([C:14]([O:16][CH2:28][CH3:29])=[O:15])[CH:8]=[N:7]2)([O-:3])=[O:2] | 1 |
IC=1C=C(C=CC1C)N>N(C)(C)C=O.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1=C(C=C(N)C=C1)B1OC(C(O1)(C)C)(C)C | 3 |
[Cl:1][C:2]1[C:7]([N+:8]([O-])=O)=[CH:6][C:5]([F:11])=[CH:4][N:3]=1.[CH:12]([Mg]Br)=[CH2:13]>>[F:11][C:5]1[CH:4]=[N:3][C:2]([Cl:1])=[C:7]2[C:6]=1[CH:12]=[CH:13][NH:8]2 | 1 |
P([O:8][CH2:9][CH3:10])(OCC)OCC.N1[C:16]([CH3:17])=[CH:15][CH:14]=[CH:13][C:12]=1[CH3:18].C[N:20]([CH:22]=O)C>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C(Cl)(Cl)Cl>[NH2:20][C:22]1[CH:17]=[CH:16][C:15]2[C:10](=[CH:18][CH:12]=[CH:13][CH:14]=2)[C:9]=1[OH:8] | 1 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[CH:5]=[C:4]([CH2:9][CH2:10][CH2:11][Si:12]([CH3:15])([CH3:14])[CH3:13])[N:3]=1.Cl.[CH2:17]([O:19][CH2:20][CH2:21][CH2:22][NH:23][C:24](=[O:31])[C@H:25]([CH2:27][CH:28]([CH3:30])[CH3:29])[NH2:26])[CH3:18].C(N(CC)C(C)C)(C)C>CS(C)=O.C(OCC)(=O)C>[CH2:17]([O:19][CH2:20][CH2:21][CH2:22][NH:23][C:24](=[O:31])[CH:25]([NH:26][C:6]1[CH:5]=[C:4]([CH2:9][CH2:10][CH2:11][Si:12]([CH3:15])([CH3:14])[CH3:13])[N:3]=[C:2]([Cl:1])[N:7]=1)[CH2:27][CH:28]([CH3:29])[CH3:30])[CH3:18] | 1 |
BrC1OC(=O)C2=CC=CC=C12.C1(=CC=C(C=C1)C(CCC(=O)O)=O)C1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].CCN(CC)CC>C1(=CC=C(C=C1)C(CCC(=O)OC1OC(=O)C2=CC=CC=C12)=O)C1=CC=CC=C1 | 3 |
O[C@H]1CN(CCC1)C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C(C)(C)(C)OC(=O)N1CC(CCC1)OS(=O)(=O)C | 3 |
NC=1SC2=C(N1)C=CC(=C2)Br>>BrC1=CC2=C(N=C(S2)NC(=O)N2C=NC=C2)C=C1 | 5 |
C(C)OC(=O)C1=NC=CC(=N1)OC1=CC2=CC=CC(=C2C=C1)C(NC1=CC(=C(C=C1)F)C(F)(F)F)=O>>FC1=C(C=C(C=C1)NC(=O)C1=CC=CC2=CC(=CC=C12)OC1=NC(=NC=C1)CO)C(F)(F)F | 5 |
C(=O)[O-].[K+].C(C)(C)(C)C1=C(C(=O)[O-])C=C(C=C1)[N+](=O)[O-]>>C(C)(C)(C)C1=C(C(=O)OC)C=C(C=C1)N | 5 |
Cl.N1C[CH2:6][C:5](=[C:8]2[CH:24]=[CH:23][CH:22]=[C:10]([O:11][C:12]3[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][N:13]=3)[CH:9]2C)CC1.[N:26]1[CH:31]=[CH:30][C:29]([NH:32]C(=O)OC2C=CC=CC=2)=[CH:28][N:27]=1.[CH:42]([N:45]([CH:48]([CH3:50])C)[CH2:46][CH3:47])(C)C.CS(C)=[O:53]>>[N:26]1[CH:31]=[CH:30][C:29]([NH:32][C:42]([N:45]2[CH2:46][CH2:47][C:6](=[CH:5][C:8]3[CH:24]=[CH:23][CH:22]=[C:10]([O:11][C:12]4[CH:17]=[CH:16][C:15]([C:18]([F:19])([F:20])[F:21])=[CH:14][N:13]=4)[CH:9]=3)[CH2:50][CH2:48]2)=[O:53])=[CH:28][N:27]=1 | 1 |
C(#N)C1=NC2=CC(=CC(=C2N=C1N1CC2=CC=CC=C2C1)C(C)=NS(=O)C(C)(C)C)C>O.ClCCl.Cl.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr+2]>C(#N)C1=NC2=CC(=CC(=C2N=C1N1CC2=CC=CC=C2C1)C(C)NS(=O)C(C)(C)C)C | 3 |
[NH2:1][C:2]1[CH:27]=[C:26]([C:28]#[N:29])[CH:25]=[CH:24][C:3]=1[CH2:4][NH:5][C:6](=[O:23])[CH:7]([O:20][CH2:21][CH3:22])[N:8]1[C:16](=[O:17])[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][C:14]=2[F:18])[C:9]1=[O:19].[F:30][C:31]1[CH:38]=[CH:37][CH:36]=[CH:35][C:32]=1[CH:33]=O.[BH3-]C#N.[Na+]>CO.[Cl-].[Cl-].[Zn+2]>[C:28]([C:26]1[CH:25]=[CH:24][C:3]([CH2:4][NH:5][C:6](=[O:23])[CH:7]([O:20][CH2:21][CH3:22])[N:8]2[C:16](=[O:17])[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][C:14]=3[F:18])[C:9]2=[O:19])=[C:2]([NH:1][CH2:33][C:32]2[CH:35]=[CH:36][CH:37]=[CH:38][C:31]=2[F:30])[CH:27]=1)#[N:29] | 1 |
C(C)OC(C(\C=C\C(CS(=O)(=O)C1=CC=CC=C1)CS(=O)(=O)C1=CC=CC=C1)CO[Si](C)(C)C(C)(C)C)=O>CCO[H].[HH].[Pt](=O)=O>C(C)OC(C(CCC(CS(=O)(=O)C1=CC=CC=C1)CS(=O)(=O)C1=CC=CC=C1)CO[Si](C)(C)C(C)(C)C)=O | 3 |
Cl[C:2]1[C:3]2[S:10][C:9]([C:11]([NH2:13])=[O:12])=[CH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[CH2:14]([NH2:16])[CH3:15]>O.CC#N>[CH2:14]([NH:16][C:2]1[C:3]2[S:10][C:9]([C:11]([NH2:13])=[O:12])=[CH:8][C:4]=2[N:5]=[CH:6][N:7]=1)[CH3:15] | 2 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C@@H:8]1[CH2:13][CH2:12][C@H:11]([C:14]([OH:16])=O)[CH2:10][CH2:9]1.[NH3:17].C1COCC1>S(Cl)(Cl)=O.C(Cl)Cl>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C@@H:8]1[CH2:13][CH2:12][C@H:11]([C:14]([NH2:17])=[O:16])[CH2:10][CH2:9]1 | 1 |
C[Si](OC(=C)C1=CC=CC=C1)(C)C.F[B-](F)(F)F.C1(=CC=CC=C1)[N+]#N>C(C)OCC.c1ccncc1>C1(=CC=CC=C1)C(=O)CC1=CC=CC=C1 | 3 |
BrC=1C2=C(C(N(C1)CCF)=O)C(=C(O2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O)C2=CC=CC=C2>ClCCl>NC1(CCC1)C1=CC=C(C=C1)C1=C(C=2C(N(C=C(C2O1)Br)CCF)=O)C1=CC=CC=C1 | 3 |
[CH3:1][C:2]1(B(O)OC(O)=O)[CH:7]=[CH:6][CH:5]=[CH:4][CH2:3]1.BrC1[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[N:18]=[C:17]([CH3:25])[CH:16]=1.[C:26]([O-])([OH:28])=[O:27].[Na+].CCOC(C)=O>C1COCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:25][C:17]1[CH:16]=[C:1]([C:2]2[CH:3]=[CH:4][C:5]([C:26]([OH:28])=[O:27])=[CH:6][CH:7]=2)[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[N:18]=1 | 1 |
[CH2:1]([S:3][C:4]1[N:13]([CH2:14][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[C:27]3[NH:31][N:30]=[N:29][N:28]=3)=[CH:17][CH:16]=2)[C:7]2=[N:8][CH:9]=[CH:10][C:11]([CH3:12])=[C:6]2[N:5]=1)[CH3:2].ClC1C=CC=C(C(OO)=[O:40])C=1.[OH2:43].C(OCC)(=O)C>ClCCl.CO>[CH2:1]([S:3]([C:4]1[N:13]([CH2:14][C:15]2[CH:16]=[CH:17][C:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[C:27]3[NH:31][N:30]=[N:29][N:28]=3)=[CH:19][CH:20]=2)[C:7]2=[N:8][CH:9]=[CH:10][C:11]([CH3:12])=[C:6]2[N:5]=1)(=[O:40])=[O:43])[CH3:2] | 1 |
ClC=1C(NN=CC1N1CCNCC1)=O.C(C)OC=1C(=C(C=O)C=CC1)C>O.CO[H].C(#N)[BH3-].[Na+].C>ClC=1C(NN=CC1N1CCN(CC1)CC1=C(C(=CC=C1)OCC)C)=O | 3 |
C(C)(=O)C=1C(=CC=C2C(C(=C(OC12)C(C)C)C1=CC=C(C=C1)Cl)=O)OS(=O)(=O)C1=C(C=C(C=C1C)C)C>C1(=CC=CC=C1)C.[Mg+2].[O-]S([O-])(=O)=O.CCO[H].O.NN.C(C)(=O)[O-].[NH4+]>ClC1=CC=C(C=C1)C=1C(C=2C(=C3C(=NNC3=CC2)C)OC1C(C)C)=O | 3 |
COC1=C(C=C(C(=C1)Cl)OC)C(CCCCCCCCC)=O>BrBr.ClCCl>BrC(C(=O)C1=C(C=C(C(=C1)OC)Cl)OC)CCCCCCCC | 3 |
Cl.C1(CCCC1)NC(=N)N.ClC=1C=2N(C=CC1)C(=C(N2)C2=CC=C(C=C2)F)C(C#C)=O>CCO[H].C([O-])([O-])=O.[K+].[K+]>ClC=1C=2N(C=CC1)C(=C(N2)C2=CC=C(C=C2)F)C2=NC(=NC=C2)NC2CCCC2 | 3 |
BrCC1CCN(CC1)C(=O)OC(C)(C)C.C(C)(=O)NC1=C(SC(=C1)C)C(=O)OC>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>COC(=O)C=1SC(=CC1N(C(C)=O)CC1CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
S1C=NC=C1[C@H]1[C@@H](C1)NC(OC(C)(C)C)=O>Cl.O1CCOCC1>Cl.S1C=NC=C1[C@H]1[C@@H](C1)N | 3 |
Cl[Si](C)(C)C.C(C=C(C)C)=O>CC#N.CCN(CC)CC.[I-].[Na+]>C[Si](OC=CC(=C)C)(C)C | 3 |
BrC=1C=C(C=CC1)C#CC=1C=C(C=CC1)[Si](C)(C)C>CS(=O)C.Cl[Pd]Cl>BrC=1C=C(C=CC1)C(C(=O)C1=CC(=CC=C1)[Si](C)(C)C)=O | 3 |
C(OC([N:11]1[CH2:16][CH2:15][N:14]([CH2:17][CH2:18][NH:19][C:20]2[CH:25]=[CH:24][N:23]=[CH:22][C:21]=2[CH3:26])[C:13](=[O:27])[CH2:12]1)=O)C1C=CC=CC=1>C(O)C.[Pd]>[CH3:26][C:21]1[CH:22]=[N:23][CH:24]=[CH:25][C:20]=1[NH:19][CH2:18][CH2:17][N:14]1[CH2:15][CH2:16][NH:11][CH2:12][C:13]1=[O:27] | 1 |
[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[CH:7][NH:8]2)=[CH:4][CH:3]=1.I[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>>[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[CH:7][N:8]2[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:4][CH:3]=1 | 1 |
[H-].[Na+].[OH:3][C:4]1[CH:8]=[C:7]([S:9]([CH3:12])(=[O:11])=[O:10])[S:6][C:5]=1[C:13]([O:15][CH3:16])=[O:14].[CH2:17](Br)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>CN(C)C=O.O>[CH2:17]([O:3][C:4]1[CH:8]=[C:7]([S:9]([CH3:12])(=[O:11])=[O:10])[S:6][C:5]=1[C:13]([O:15][CH3:16])=[O:14])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 1 |
COC(=O)C=1N(C(=CC1)Br)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>CN1C(=CC=C1B1OC(C(O1)(C)C)(C)C)C(=O)OC | 3 |
ClC1=CC=C(C=C1)C1=NSC(=C1N)C(F)(F)F>CC#N.[Cu](Br)Br.N(=O)OC(C)(C)C>BrC=1C(=NSC1C(F)(F)F)C1=CC=C(C=C1)Cl | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([CH2:16][C:17]([CH3:27])([OH:26])[CH2:18][O:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[C:7]3[C:12]([C:13]=2[CH:14]=1)=[CH:11][C:10](Br)=[CH:9][CH:8]=3.[C-:28]#[N:29].[Na+].[I-].[K+].[CH3:33][N:34](C)CCN>[Cu](I)I.C1(C)C=CC=CC=1>[OH:26][C:17]([CH3:27])([CH2:18][O:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[CH2:16][N:6]1[C:7]2[CH:8]=[CH:9][C:10]([C:33]#[N:34])=[CH:11][C:12]=2[C:13]2[C:5]1=[CH:4][CH:3]=[C:2]([C:28]#[N:29])[CH:14]=2 | 1 |
BrC(C(=O)OCC)C1=CC=CC=C1.NC[C@@H](C)C1=CC=C(C#N)C=C1>N(C)(C)C=O.O.CCN(CC)CC>C(#N)C1=CC=C(C=C1)[C@@H](CN[C@H](C(=O)OCC)C1=CC=CC=C1)C | 3 |
OCC=1C(=NC=CC1)C1(COCCC1)O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].[Cl-].[NH4+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>O1CC2(CCC1)OCC=1C2=NC=CC1 | 3 |
C(OC([N:8]1[CH:12]=[C:11]([C:13]2[CH:14]=[C:15]3[C:20](=[CH:21][CH:22]=2)[N:19]=[C:18]([NH:23][C@@H:24]([C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([O:32][CH3:33])[CH:27]=2)[CH3:25])[CH:17]=[N:16]3)[CH:10]=[N:9]1)=O)(C)(C)C.COC1C=C([C@H](NC2C=NC3C(=CC=C(C4C=NNC=4)C=3)N=2)C)C=CC=1.[ClH:60]>O1CCOCC1>[ClH:60].[CH3:33][O:32][C:28]1[CH:27]=[C:26]([C@H:24]([NH:23][C:18]2[CH:17]=[N:16][C:15]3[C:20](=[CH:21][CH:22]=[C:13]([C:11]4[CH:12]=[N:8][NH:9][CH:10]=4)[CH:14]=3)[N:19]=2)[CH3:25])[CH:31]=[CH:30][CH:29]=1 | 1 |
C(C)OC(CC1CCN(CC1)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])=O>>C(C)OC(CC1CCN(CC1)C1=C(C=C(C=C1)Cl)N)=O | 5 |
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[S:13][C:12]([NH:14][C:15]([C:17]23[CH2:26][CH:21]4[CH2:22][CH:23]([CH2:25][CH:19]([CH2:20]4)[CH2:18]2)[CH2:24]3)=[O:16])=[N:11][CH:10]=1.Br[CH2:28][CH:29]1[CH2:34][CH2:33][CH2:32][CH2:31][O:30]1.[H-].[Na+]>O1CCCC1.CN(C)C=O.O>[C:15]([O-:30])(=[O:16])[CH3:17].[NH4+:11].[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[S:13]/[C:12](=[N:14]\[C:15]([C:17]23[CH2:26][CH:21]4[CH2:20][CH:19]([CH2:25][CH:23]([CH2:22]4)[CH2:24]2)[CH2:18]3)=[O:16])/[N:11]([CH2:28][CH:29]2[CH2:34][CH2:33][CH2:32][CH2:31][O:30]2)[CH:10]=1 | 1 |
[CH3:1][C:2]1[C:3]([OH:11])=[CH:4][C:5]2[S:9][CH:8]=[N:7][C:6]=2[CH:10]=1.[Br:12]Br>C(O)(=O)C>[Br:12][C:4]1[C:5]2[S:9][CH:8]=[N:7][C:6]=2[CH:10]=[C:2]([CH3:1])[C:3]=1[OH:11] | 1 |
COC(CBr)OC.NC1=NC=CC=C1CC1=CC=CC=C1>>BrCC1C2=C(CC3=C(N1)N=CC=C3)C=CC=C2 | 5 |
BrCCCCCCC=C.N(NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O>N(C)(C)C=O.[H-].[Na+]>C(CCCCCC=C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C | 3 |
N1(CCNCC1)C(=O)OCC1=CC=CC=C1.COC1=CC=C(C=C1)N=C=S>>C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C(=NC1=CC=C(C=C1)OC)SC | 5 |
[OH:1][C:2]1[CH:7]=[CH:6][N:5]([C:8]2[CH:13]=[CH:12][C:11]([S:14]([CH3:17])(=[O:16])=[O:15])=[CH:10][CH:9]=2)[C:4](=[O:18])[CH:3]=1.[CH3:19][C@H:20]1[CH2:25][C@H:24](OS(C)(=O)=O)[CH2:23][CH2:22][N:21]1[C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.CCOC(C)=O.O>[CH3:19][CH:20]1[CH2:25][CH:24]([O:1][C:2]2[CH:7]=[CH:6][N:5]([C:8]3[CH:9]=[CH:10][C:11]([S:14]([CH3:17])(=[O:16])=[O:15])=[CH:12][CH:13]=3)[C:4](=[O:18])[CH:3]=2)[CH2:23][CH2:22][N:21]1[C:31]([O:33][C:34]([CH3:35])([CH3:37])[CH3:36])=[O:32] | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([CH3:19])=[C:11]([CH2:13][C:14]([O:16]CC)=[O:15])[N:12]=2)=[CH:4][CH:3]=1.[OH-].[Na+]>C(O)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][C:10]([CH3:19])=[C:11]([CH2:13][C:14]([OH:16])=[O:15])[N:12]=2)=[CH:6][CH:7]=1 | 1 |
NNC.BrC1=CC=C(C=C1)C(CC1=NC=NC=C1)=O>>BrC1=CC=C(C=C1)C1=NN(C=C1C1=NC=NC=C1)C | 5 |
BrC1=NC(=CC(=C1)C(F)(F)F)C.ClC=1C(=C(C=CC1F)N(C(=O)[C@H]1NC(N(C1)C(=O)OC(C)(C)C)=O)C)F>O.O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C(=C(C=CC1F)N(C(=O)[C@H]1N(C(N(C1)C(=O)OC(C)(C)C)=O)C1=NC(=CC(=C1)C(F)(F)F)C)C)F | 3 |
B(Br)(Br)Br.Cl.C[O:7][C:8]1[CH:9]=[C:10]2[C:15](=[CH:16][CH:17]=1)[C:14]([O:18][C:19]1[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH2:27][N:28]3[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]3)=[CH:21][CH:20]=1)=[C:13]([C:34]1[C:35]([C:39]#[N:40])=[CH:36][S:37][CH:38]=1)[CH:12]=[CH:11]2>ClCCl>[OH:7][C:8]1[CH:9]=[C:10]2[C:15](=[CH:16][CH:17]=1)[C:14]([O:18][C:19]1[CH:20]=[CH:21][C:22]([O:25][CH2:26][CH2:27][N:28]3[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]3)=[CH:23][CH:24]=1)=[C:13]([C:34]1[C:35]([C:39]#[N:40])=[CH:36][S:37][CH:38]=1)[CH:12]=[CH:11]2 | 1 |
C1(=CC=CC=C1)C1=NC=CC(=N1)N1CCN(CC1)C(=O)OC(C)(C)C>>Cl.Cl.C1(=CC=CC=C1)C1=NC=CC(=N1)N1CCNCC1 | 5 |
CC1C=CC(S([O:11][CH2:12][CH2:13][O:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)(=O)=O)=CC=1.[O:22]1[CH2:26][CH2:25][C@@H:24](O)[CH2:23]1>>[CH2:15]([O:14][CH2:13][CH2:12][O:11][C@@H:24]1[CH2:25][CH2:26][O:22][CH2:23]1)[C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1 | 2 |
FC1=C(C=CC(=C1)F)S(=O)(=O)Cl.NC=1C=C(C=NC1)Br>c1ccncc1>BrC=1C=C(C=NC1)NS(=O)(=O)C1=C(C=C(C=C1)F)F | 3 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10](=[O:37])[CH2:11][N:12]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][C:27]([CH3:36])([CH3:35])[C:28]([O:30]C(C)(C)C)=[O:29])=[CH:22][CH:21]=1)[CH2:13][C:14]1[O:15][CH:16]=[CH:17][CH:18]=1.FC(F)(F)C(O)=O>ClCCl>[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10](=[O:37])[CH2:11][N:12]([CH2:19][C:20]1[CH:21]=[CH:22][C:23]([CH2:26][C:27]([CH3:35])([CH3:36])[C:28]([OH:30])=[O:29])=[CH:24][CH:25]=1)[CH2:13][C:14]1[O:15][CH:16]=[CH:17][CH:18]=1 | 1 |
F[H-]F.[NH4+].[C:5]1(=[O:16])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8](=[O:15])[CH:7]=[CH:6]1.C([Si](CC)(CC)[C:20]([F:23])([F:22])[F:21])C.C1C2C(=CC=CC=2)C=CC=1>>[OH:16][C:5]1([C:20]([F:23])([F:22])[F:21])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8](=[O:15])[CH:7]=[CH:6]1 | 1 |
Cl.[Cl:2][C:3]1[C:4]([O:32]COC)=[CH:5][C:6]([O:28]COC)=[C:7]([CH:27]=1)[C:8]([N:10]1[CH2:14][CH2:13][CH2:12][CH:11]1[C:15]1[CH:16]=[C:17]([CH:23]=[CH:24][C:25]=1[CH3:26])[C:18]([NH:20][CH2:21][CH3:22])=[O:19])=[O:9].C([O-])(O)=O.[Na+]>CO>[Cl:2][C:3]1[C:4]([OH:32])=[CH:5][C:6]([OH:28])=[C:7]([CH:27]=1)[C:8]([N:10]1[CH2:14][CH2:13][CH2:12][CH:11]1[C:15]1[CH:16]=[C:17]([CH:23]=[CH:24][C:25]=1[CH3:26])[C:18]([NH:20][CH2:21][CH3:22])=[O:19])=[O:9] | 2 |
C(#N)[C@H](CC1=CC=C(C=C1)C=1C=C2CN(C(C2=CC1)=O)C)NC(=O)C1(CCOCC1)NC(OC(C)(C)C)=O>CC#N.O.C(=O)O>NC1(CCOCC1)C(=O)N[C@@H](CC1=CC=C(C=C1)C=1C=C2CN(C(C2=CC1)=O)C)C#N | 3 |
Br[C:2]1[C:7]([CH3:8])=[CH:6][C:5]([O:9][CH2:10][CH2:11][CH2:12][S:13]([CH3:16])(=[O:15])=[O:14])=[CH:4][C:3]=1[CH3:17].[CH:18]([C:20]1[CH:21]=[C:22](B(O)O)[CH:23]=[CH:24][CH:25]=1)=[O:19].P([O-])([O-])([O-])=O.[K+].[K+].[K+].CS(C)=O>[C].[Pd].C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O>[CH3:17][C:3]1[CH:4]=[C:5]([O:9][CH2:10][CH2:11][CH2:12][S:13]([CH3:16])(=[O:15])=[O:14])[CH:6]=[C:7]([CH3:8])[C:2]=1[C:24]1[CH:23]=[CH:22][CH:21]=[C:20]([CH:18]=[O:19])[CH:25]=1 | 1 |
ClC1=CC=C(C=C1)N(C(C)=O)[C@@H]1C[C@@H](N(C2=CC=CC=C12)C(C1=CC=C(C=C1)C#N)=O)C>>NCC1=CC=C(C(=O)N2[C@H](C[C@H](C3=CC=CC=C23)N(C(C)=O)C2=CC=C(C=C2)Cl)C)C=C1 | 5 |
O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCN(CC1)CCCCC(=O)OC(C)(C)C)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCN(CC1)CCCCC(=O)O)=O)=O | 3 |
C(N1CCO[C@H](CC2C=CC=C(C=CC3C=NC=CC=3)C=2)C1)(OC(C)(C)C)=O.[C:29]([O:33][C:34]([N:36]1[CH2:41][CH2:40][O:39][C@H:38]([CH2:42][C:43]2[CH:48]=[CH:47][C:46](OS(C(F)(F)F)(=O)=O)=[C:45]([Cl:57])[CH:44]=2)[CH2:37]1)=[O:35])([CH3:32])([CH3:31])[CH3:30].[F:58][C:59]1[CH:60]=[C:61](B(O)O)[CH:62]=[CH:63][C:64]=1[CH3:65]>>[C:29]([O:33][C:34]([N:36]1[CH2:41][CH2:40][O:39][C@H:38]([CH2:42][C:43]2[CH:48]=[CH:47][C:46]([C:61]3[CH:62]=[CH:63][C:64]([CH3:65])=[C:59]([F:58])[CH:60]=3)=[C:45]([Cl:57])[CH:44]=2)[CH2:37]1)=[O:35])([CH3:31])([CH3:32])[CH3:30] | 1 |
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