smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=2)[CH2:10][CH2:9]1)C1C=CC=CC=1>CO.[OH-].[Pd+2].[OH-]>[N:15]1[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=1[CH:11]1[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]1 | 1 |
C(C)C1=C(C=CC=C1)O>>C(C)C1=C(C=CC(=C1)I)O | 5 |
[NH2:1][C:2]1[N:7]=[C:6]([CH3:8])[CH:5]=[C:4]([CH3:9])[N:3]=1.[C:10]1([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[S:22]([N:25]=[C:26]=[S:27])(=[O:24])=[O:23])[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C1(C)C=CC=CC=1>[C:16]1([C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=2)[C:17]([S:22]([NH:25][C:26]([NH:1][C:2]2[N:7]=[C:6]([CH3:8])[CH:5]=[C:4]([CH3:9])[N:3]=2)=[S:27])(=[O:23])=[O:24])=[CH:18][CH:19]=[CH:20][CH:21]=1 | 1 |
[CH2:1]([O:3][C:4](=[O:14])[CH2:5][NH:6][C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[CH3:2].[H-].[Na+].[CH2:17]([O:19][C:20]([C:22]1[C:26]([Cl:27])=[C:25]([Cl:28])[N:24]([CH2:29][CH2:30][CH:31]([CH3:33])[CH3:32])[C:23]=1[CH2:34]Br)=[O:21])[CH3:18]>CN(C=O)C>[CH2:17]([O:19][C:20]([C:22]1[C:26]([Cl:27])=[C:25]([Cl:28])[N:24]([CH2:29][CH2:30][CH:31]([CH3:33])[CH3:32])[C:23]=1[CH2:34][N:6]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[CH2:5][C:4]([O:3][CH2:1][CH3:2])=[O:14])=[O:21])[CH3:18] | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[N:12]([CH2:32][CH3:33])[C:13]1[N:14]=[C:15]([C:22]2[CH:23]=[CH:24][CH:25]=[C:26]3[C:31]=2[N:30]=[CH:29][CH:28]=[CH:27]3)[C:16]2[NH:21][N:20]=[CH:19][C:17]=2[N:18]=1.[Br:34]NC(=O)CCC(N)=O.O>CN(C)C=O>[Br:34][C:19]1[C:17]2[N:18]=[C:13]([N:12]([C:3]3[CH:4]=[CH:5][C:6]([C:8]([F:9])([F:11])[F:10])=[CH:7][C:2]=3[Cl:1])[CH2:32][CH3:33])[N:14]=[C:15]([C:22]3[CH:23]=[CH:24][CH:25]=[C:26]4[C:31]=3[N:30]=[CH:29][CH:28]=[CH:27]4)[C:16]=2[NH:21][N:20]=1 | 2 |
[Cl:1][C:2]1[C:7]([O:8][CH2:9][C:10]([N:12]2[CH2:17][CH2:16][C:15]3[N:18]=[C:19]4[S:23][C:22]([CH3:24])=[N:21][N:20]4[C:14]=3[CH:13]2[C:25]2[S:29][CH:28]=[C:27]([C:30]([O:32]C)=[O:31])[CH:26]=2)=[O:11])=[CH:6][CH:5]=[C:4]([N:34]2[CH2:39][CH2:38][O:37][CH2:36][CH2:35]2)[N:3]=1.[OH-].[Na+]>CO>[Cl:1][C:2]1[C:7]([O:8][CH2:9][C:10]([N:12]2[CH2:17][CH2:16][C:15]3[N:18]=[C:19]4[S:23][C:22]([CH3:24])=[N:21][N:20]4[C:14]=3[CH:13]2[C:25]2[S:29][CH:28]=[C:27]([C:30]([OH:32])=[O:31])[CH:26]=2)=[O:11])=[CH:6][CH:5]=[C:4]([N:34]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[N:3]=1 | 2 |
C(C)(C)C1=NOC(=N1)N1CCC(CC1)CCCO.OC=1C=C(C(=NC1)C#N)C>>C(C)(C)C1=NOC(=N1)N1CCC(CC1)CCCOC=1C=C(C(=NC1)C#N)C | 3 |
FC=1C=C(N)C=C(C1[Si](C)(C)C)F.C(C)(C)(C)OC(=O)N1CCOC2=C(C1C(=O)O)C=CC(=C2)OC>O.C1(=CC=NC=C1)N(C)C.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>FC=1C=C(C=C(C1[Si](C)(C)C)F)NC(=O)C1N(CCOC2=C1C=CC(=C2)OC)C(=O)OC(C)(C)C | 3 |
[NH2:1][C:2]1[N:7]=[C:6]([C:8]([NH:10][CH:11]([C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][C:21]([F:24])([F:23])[F:22])=[CH:15][CH:14]=2)[CH3:12])=[O:9])[CH:5]=[CH:4][N:3]=1.[C:25](Cl)(=[O:29])[CH:26]([CH3:28])[CH3:27]>>[C:25]([NH:1][C:2]1[N:7]=[C:6]([C:8]([NH:10][CH:11]([C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][C:21]([F:24])([F:22])[F:23])=[CH:15][CH:14]=2)[CH3:12])=[O:9])[CH:5]=[CH:4][N:3]=1)(=[O:29])[CH:26]([CH3:28])[CH3:27] | 1 |
C(C)(=O)C=1C=C(C=CC1)NC(OCC)=O>C(C)OCC.BrBr.O1CCOCC1>BrCC(=O)C=1C=C(C=CC1)NC(OCC)=O | 3 |
C(C)OC([C@H](CC1=CC=C(C=C1)O)OCC)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C.BrCCBr>BrCCOC1=CC=C(C=C1)C[C@@H](C(=O)OCC)OCC | 3 |
ClC1=CC=C(C=C1)O.[N+](=O)([O-])C=1C=C(N)C=CC1F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(OC2=C(C=C(N)C=C2)[N+](=O)[O-])C=C1 | 3 |
NC1=C(C=C(C=C1)Br)C(CC)=O>>BrC=1C=C2C(=C(N=NC2=CC1)C)O | 5 |
[OH:1][CH:2]([CH2:9][CH:10]([OH:34])/[CH:11]=[CH:12]/[C:13]1[N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[C:21]([C:22]=1[C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=1)=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH2:3][C:4]([O:6]CC)=[O:5].[OH-].[Na+:36]>CO>[OH:1][CH:2]([CH2:9][CH:10]([OH:34])/[CH:11]=[CH:12]/[C:13]1[N:14]([CH:31]([CH3:32])[CH3:33])[C:15](=[O:30])[C:16]2[C:21]([C:22]=1[C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=1)=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH2:3][C:4]([O-:6])=[O:5].[Na+:36] | 1 |
[C:1]([N:5]=[N:6][C:7]([C:14]#[N:15])([CH3:13])[CH2:8][CH2:9][C:10]([OH:12])=[O:11])([CH3:4])([CH3:3])[CH3:2].[OH:16]S(O)(=O)=O>>[C:1]([N:5]=[N:6][C:7]([C:14](=[O:16])[NH2:15])([CH3:13])[CH2:8][CH2:9][C:10]([OH:12])=[O:11])([CH3:4])([CH3:2])[CH3:3] | 1 |
[NH2:1][C@@H:2]([C:6]([OH:8])=[O:7])[CH:3]([CH3:5])[CH3:4].[OH-].[Na+].Cl[C:12]([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13]>>[CH2:15]([O:14][C:12]([NH:1][C@@H:2]([C:6]([OH:8])=[O:7])[CH:3]([CH3:5])[CH3:4])=[O:13])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 2 |
C(#N)C[C@H]1N([C@H](CC1)C1=C(C(=CC=C1OC)Cl)Cl)C(=O)OC(C)(C)C>O(O[H])[H].O.CO[H].[OH-].[Na+].[O-]S(=O)[O-].[Na+].[Na+]>C(N)(=O)C[C@H]1N([C@H](CC1)C1=C(C(=CC=C1OC)Cl)Cl)C(=O)OC(C)(C)C | 3 |
C(C)OC(CNC(=O)C=1C(=C(C=C2N=CC=NC12)C=1N(C2=CC=CC=C2C1)C(=O)OC(C)(C)C)O)=O>CCO[H].[OH-].[Na+]>OC=1C(=C2N=CC=NC2=CC1C=1NC2=CC=CC=C2C1)C(=O)NCC(=O)O | 3 |
FC1=C(C=CC(=C1)F)B(O)O>C([O-])([O-])=O.[Na+].[Na+].[Cl-].[Li+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=C(C=CC(=C1)F)C1=CCC2(OCCO2)CC1 | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[N:9])[CH:5]=[CH:4][C:3]=1[CH3:10].[Li+].CC([N-]C(C)C)C.[O:19]1[C:23]2[C:24]([C:28]([CH3:33])([CH3:32])[CH2:29][CH:30]=[O:31])=[CH:25][CH:26]=[CH:27][C:22]=2[CH2:21][CH2:20]1.[Cl-].[NH4+]>C1COCC1.CN1C(=O)N(C)CCC1.C1COCC1>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[N:9])[CH:5]=[CH:4][C:3]=1[CH2:10][CH:30]([OH:31])[CH2:29][C:28]([C:24]1[C:23]2[O:19][CH2:20][CH2:21][C:22]=2[CH:27]=[CH:26][CH:25]=1)([CH3:33])[CH3:32] | 1 |
CC1=C(C=C(C=C1C)C)O.BrC(C(=O)C1=C(C=CC=C1)C)(C)C>>CC(C(=O)C1=CC=C(C=C1)C)(C)OC1=C(C(=CC(=C1)C)C)C | 5 |
[H-].[Na+].[F:3][C:4]1([F:10])[CH2:7][CH:6]([CH2:8][OH:9])[CH2:5]1.Cl[C:12]1[C:17]([Cl:18])=[CH:16][CH:15]=[CH:14][N:13]=1.Cl>C1COCC1>[Cl:18][C:17]1[C:12]([O:9][CH2:8][CH:6]2[CH2:7][C:4]([F:10])([F:3])[CH2:5]2)=[N:13][CH:14]=[CH:15][CH:16]=1 | 1 |
BrC1C=C(C(O)=O)C=CC=1C1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1.[N:25]1[CH:30]=[CH:29][CH:28]=[C:27]([CH:31]2[CH2:35][CH2:34][N:33]([C:36]([C:38]3[CH:39]=[C:40]([C:58]([O:60]C)=[O:59])[C:41]([C:44]4[CH:49]=[C:48]([C:50]([F:53])([F:52])[F:51])[CH:47]=[C:46]([C:54]([F:57])([F:56])[F:55])[CH:45]=4)=[CH:42][CH:43]=3)=[O:37])[CH2:32]2)[CH:26]=1>>[N:25]1[CH:30]=[CH:29][CH:28]=[C:27]([CH:31]2[CH2:35][CH2:34][N:33]([C:36]([C:38]3[CH:39]=[C:40]([C:58]([OH:60])=[O:59])[C:41]([C:44]4[CH:49]=[C:48]([C:50]([F:52])([F:53])[F:51])[CH:47]=[C:46]([C:54]([F:55])([F:56])[F:57])[CH:45]=4)=[CH:42][CH:43]=3)=[O:37])[CH2:32]2)[CH:26]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([NH:11][CH2:12][C:13]2[CH:21]=[CH:20][C:16]([C:17]([OH:19])=O)=[CH:15][CH:14]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].Cl.Cl.[NH2:24][C:25]1[C:29]([NH2:30])=[CH:28][S:27][CH:26]=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.C(N(CC)CC)C>CC#N>[NH2:30][C:29]1[C:25]([NH:24][C:17](=[O:19])[C:16]2[CH:15]=[CH:14][C:13]([CH2:12][NH:11][C:5]3[CH:6]=[CH:7][C:8]([O:9][CH3:10])=[C:3]([O:2][CH3:1])[CH:4]=3)=[CH:21][CH:20]=2)=[CH:26][S:27][CH:28]=1 | 1 |
C([Cl:4])(=O)C.[CH:5]1([NH:8][CH:9]([C:14]2[C:15](=[O:23])[C:16]([OH:22])=[C:17]([CH2:20][CH3:21])[NH:18][CH:19]=2)[C:10]([F:13])([F:12])[F:11])[CH2:7][CH2:6]1>CO>[ClH:4].[CH:5]1([NH:8][CH:9]([C:14]2[C:15](=[O:23])[C:16]([OH:22])=[C:17]([CH2:20][CH3:21])[NH:18][CH:19]=2)[C:10]([F:12])([F:11])[F:13])[CH2:6][CH2:7]1 | 2 |
OCCC#CC1=CC=C(CN2C(C3=CC=CC=C3C2=O)=O)C=C1>>OCCCCC1=CC=C(CN2C(C3=CC=CC=C3C2=O)=O)C=C1 | 5 |
Br.BrCCC1=NC=CC=C1.IC1=NNC2=CC=CC(=C12)[N+](=O)[O-]>CC#N.C(C)(C)(C)N=C(N(C)C)N(C)C>IC1=NN(C2=CC=CC(=C12)[N+](=O)[O-])CCC1=NC=CC=C1 | 3 |
CC1=C(OC2=CC=C(C#N)C=C2)C=C(C=C1)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC1=C(OC2=CC=C(CN)C=C2)C=C(C=C1)C | 3 |
C(C)(=O)NC1=CC=C(S(=O)(=O)Cl)C=C1>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1>CNS(=O)(=O)C1=CC=C(C=C1)NC(C)=O | 3 |
C(C=C)N1C(C2=CC=CC=C2C1=O)=O.BrC1=CC2=C(N=C(S2)C)C=C1>>CC=1SC2=C(N1)C=C(C=C2)CCCN2C(C1=CC=CC=C1C2=O)=O | 5 |
[CH3:1][O:2][C:3]([C:5]1[CH:6]=[C:7](B(O)O)[CH:8]=[CH:9][CH:10]=1)=[O:4].Br[C:15]1[CH:16]=[CH:17][C:18]([F:21])=[N:19][CH:20]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O.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.[Pd]>[CH3:1][O:2][C:3](=[O:4])[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:15]2[CH:20]=[N:19][C:18]([F:21])=[CH:17][CH:16]=2)[CH:6]=1 | 2 |
C(C)(=O)O[C@H]1CN([C@H](C1)C1=NC(=C2N1C1=C(N=C2)N(C=C1)S(=O)(=O)C1=CC=C(C)C=C1)Br)C(C)=O.C1(CC1)[C@@H](C)OC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C>O.C(=O)([O-])[O-].[Cs+].[Cs+].C1(=CC=CC=C1)P(C1=CC=CC=C1)CCC.[Pd]>C1(CC1)[C@@H](C)OC1=CC=C(C=C1)C=1N=C(N2C1C=NC1=C2C=CN1)[C@@H]1N(C[C@@H](C1)O)C(C)=O | 3 |
C(C)OC(=O)C1CCN(CC1)C1=NC=C(C(=N1)N1[C@@H](C[C@@H](C1)N(C1=NC=C(C=N1)N1C(N(CC1)C)=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC)Cl>CCO[H].[OH-].[Na+]>FC(C=1C=C(CN([C@H]2C[C@H](N(C2)C2=NC(=NC=C2Cl)N2CCC(CC2)C(=O)O)CC)C2=NC=C(C=N2)N2C(N(CC2)C)=O)C=C(C1)C(F)(F)F)(F)F | 3 |
[CH:1]1([C:7]2[CH:8]=[C:9]([OH:13])[CH:10]=[CH:11][CH:12]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C([O:16][C:17](=[O:22])[CH2:18][CH2:19][CH2:20]Br)C>CCCCCC>[CH:1]1([C:7]2[CH:8]=[C:9]([CH:10]=[CH:11][CH:12]=2)[O:13][CH2:20][CH2:19][CH2:18][C:17]([OH:22])=[O:16])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
[C:1]([C:5]1[N:6]=[C:7]([NH:10][C:11]([C:13]2[CH:26]=[CH:25][N:16]3[C:17](=[O:24])[C:18]([CH:22]=O)=[C:19]([OH:21])[N:20]=[C:15]3[CH:14]=2)=[O:12])[S:8][CH:9]=1)([CH3:4])([CH3:3])[CH3:2].[C:27]([O:31][C:32]([CH:34]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=[O:33])([CH3:30])([CH3:29])[CH3:28]>O1CCCC1.CN(C)C=O>[C:1]([C:5]1[N:6]=[C:7]([NH:10][C:11]([C:13]2[CH:26]=[CH:25][N:16]3[C:17](=[O:24])[C:18](/[CH:22]=[CH:34]/[C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])=[C:19]([OH:21])[N:20]=[C:15]3[CH:14]=2)=[O:12])[S:8][CH:9]=1)([CH3:4])([CH3:2])[CH3:3] | 2 |
[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:9][CH2:8][CH2:7][CH2:6]1.[Cl:10][C:11]1[CH:30]=[CH:29][C:14]([NH:15][C:16]2[C:25]3[C:20](=[CH:21][C:22]([OH:28])=[C:23]([O:26][CH3:27])[CH:24]=3)[N:19]=[CH:18][N:17]=2)=[C:13]([F:31])[CH:12]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[OH2:26].[ClH:1].[Cl:10][C:11]1[CH:30]=[CH:29][C:14]([NH:15][C:16]2[C:25]3[C:20](=[CH:21][C:22]([O:28][CH2:2][CH2:3][CH2:4][N:5]4[CH2:9][CH2:8][CH2:7][CH2:6]4)=[C:23]([O:26][CH3:27])[CH:24]=3)[N:19]=[CH:18][N:17]=2)=[C:13]([F:31])[CH:12]=1 | 1 |
CNCCCCN1C(CCCC1C1=NC=C(C=C1C)C)C1=NC=C(C=C1C)C>CO[H].Br>Br.CNCCCCN1C(CCCC1C1=NC=C(C=C1C)C)C1=NC=C(C=C1C)C | 3 |
C(=O)(O)C1=CC=C(C=O)C=C1.N1(C=NC=C1)CCOC=1C=C2CCCC(C2=CC1)=O>O.CCO[H].O1CCOCC1.[OH-].[K+]>N1(C=NC=C1)CCOC=1C=C2CCC(C(C2=CC1)=O)=CC1=CC=C(C(=O)O)C=C1 | 3 |
N1(N=CC=C1)C=1C=NC=CC1>CC#N.BrN1C(CCC1=O)=O.[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>BrC=1C=NN(C1)C=1C=NC=CC1 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[NH:8][C:7](=[S:12])[N:6]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[C:14]=1[F:21])[C:5]2=[O:22].[C:23]([O-])([O-])=O.[K+].[K+].CI>CN(C=O)C>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([S:12][CH3:23])[N:6]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[C:14]=1[F:21])[C:5]2=[O:22] | 2 |
C(C)(=O)NO.C(#N)C1=CC(=C(C=C1F)NC(OC(C)(C)C)=O)[N+](=O)[O-]>>NC1=NOC2=C1C=C(C(=C2)NC(OC(C)(C)C)=O)[N+](=O)[O-] | 5 |
C(O)=O.C([O:11][CH:12]1[CH2:15][CH:14]([C:16]2[C:21](=[O:22])[NH:20][N:19]3[C:23]([C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=4[F:32])=[N:24][N:25]=[C:18]3[CH:17]=2)[CH2:13]1)C1C=CC=CC=1.C([O-])=O.[NH4+]>CO>[F:32][C:27]1[CH:28]=[CH:29][CH:30]=[CH:31][C:26]=1[C:23]1[N:19]2[NH:20][C:21](=[O:22])[C:16]([CH:14]3[CH2:13][CH:12]([OH:11])[CH2:15]3)=[CH:17][C:18]2=[N:25][N:24]=1 | 1 |
C(C1=CC=CC=C1)N1C(=NC=2CCN(C3=C(C12)C=CC=C3)C(=O)C3=CC(=C(C#N)C=C3)C)C>CO[H].[Na+].[BH4-].O.O.O.O.O.O.[Co](Cl)Cl>NCC1=C(C=C(C=C1)C(=O)N1C2=C(C=3N(C(=NC3CC1)C)CC1=CC=CC=C1)C=CC=C2)C | 3 |
[NH2:1][C@@H:2]([CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=1)[C:3]([NH:5][CH2:6][C:7]([N:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=2)[CH2:11][CH2:10]1)=[O:8])=[O:4].[Cl:29][C:30]1[CH:31]=[CH:32][C:33]2[O:37][C:36]([C:38](O)=[O:39])=[CH:35][C:34]=2[CH:41]=1.Cl.C(N=C=NCCCN(C)C)C.ON1C2C=CC=CC=2N=N1>CN(C)C=O>[Cl:29][C:30]1[CH:31]=[CH:32][C:33]2[O:37][C:36]([C:38]([NH:1][C@@H:2]([CH2:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=3)[C:3]([NH:5][CH2:6][C:7]([N:9]3[CH2:10][CH2:11][N:12]([C:15]4[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=4)[CH2:13][CH2:14]3)=[O:8])=[O:4])=[O:39])=[CH:35][C:34]=2[CH:41]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[N:9])[C:5](F)=[CH:4][C:3]=1[CH2:11][C:12]([O:14][CH3:15])=[O:13].[C:16](=O)([O-])[O-:17].[K+].[K+]>CO>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[N:9])[C:5]([O:17][CH3:16])=[CH:4][C:3]=1[CH2:11][C:12]([O:14][CH3:15])=[O:13] | 2 |
ClC1=CC(=NC(=N1)C1=CC=C(C=C1)[N+](=O)[O-])N1CC2CCC(C1)O2>C(C)(C)N>C(C)(C)NC1=NC(=NC(=C1)N1CC2CCC(C1)O2)C2=CC=C(C=C2)[N+](=O)[O-] | 3 |
C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[CH2:11]([O:18][C:19]1[CH:31]=[CH:30][C:22]([NH:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[CH:21][CH:20]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C[O:33][C:34]([C:36]1[C:44]2[C:39](=[CH:40][CH:41]=[CH:42][CH:43]=2)[N:38]([C:45]2[CH:53]=[CH:52][CH:51]=[CH:50][C:46]=2[C:47]([OH:49])=[O:48])[CH:37]=1)=O>O1CCCC1.O>[CH2:11]([O:18][C:19]1[CH:20]=[CH:21][C:22]([N:23]([C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[C:34]([C:36]2[C:44]3[C:39](=[CH:40][CH:41]=[CH:42][CH:43]=3)[N:38]([C:45]3[CH:53]=[CH:52][CH:51]=[CH:50][C:46]=3[C:47]([OH:49])=[O:48])[CH:37]=2)=[O:33])=[CH:30][CH:31]=1)[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1 | 2 |
COC1=CC2=C(OCC3=C(C2CCCNC)C=CC=C3)C=C1>C(C)(=O)O.I>OC1=CC\2=C(OCC3=C(/C2=C/CCNC)C=CC=C3)C=C1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@H](C(=O)OCC)C(COC)(C)C>O.ClCCl.CN(C)C>C(C)(C)(C)OC(=O)N[C@H](C(=O)OCC)C(COC)(C)C | 3 |
BrC1=C(CCNC(OCC)=O)C=CC(=C1)F>>BrC1=C2CCN(CC2=CC(=C1)F)C(=O)OCC | 5 |
CC1(O[C@@H]2[C@H](O1)C=C[C@@H]2O)C>ClCCl.[Cl-].[NH4+]>CC1(O[C@H]2[C@@H](O1)[C@H]([C@@H]1[C@H]2C1)O)C | 3 |
ClC1=NC2=CC(=C(C=C2C(=N1)Cl)OC)OC.NC1CCN(CC1)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1CCC(CC1)NC1=NC(=NC2=CC(=C(C=C12)OC)OC)Cl | 5 |
[NH2:1][C:2]1[C:7]([Cl:8])=[CH:6][C:5]([NH:9][C:10]2[C:11]3[N:19]=[C:18]([NH:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([C:27]([OH:29])=O)[CH2:23][CH2:22]4)[N:17]=[CH:16][C:12]=3[N:13]=[CH:14][N:15]=2)=[CH:4][C:3]=1[Cl:30].F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=[CH:42][CH:43]=[CH:44][C:39]=2[N:38]=N1.N1CCCC1>C(N(CC)CC)C>[NH2:1][C:2]1[C:7]([Cl:8])=[CH:6][C:5]([NH:9][C:10]2[C:11]3[N:19]=[C:18]([NH:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([C:27]([N:38]5[CH2:39][CH2:44][CH2:43][CH2:42]5)=[O:29])[CH2:23][CH2:22]4)[N:17]=[CH:16][C:12]=3[N:13]=[CH:14][N:15]=2)=[CH:4][C:3]=1[Cl:30] | 1 |
C([O:3][C:4]([C:6]1[C:14]2[CH2:13][CH2:12][NH:11][C:10](=[O:15])[C:9]=2[N:8]([C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[CH:18][CH:17]=2)[N:7]=1)=[O:5])C.I[C:25]1[CH:30]=[CH:29][C:28]([N:31]2[CH2:36][CH2:35][CH2:34][CH2:33][C:32]2=[O:37])=[CH:27][CH:26]=1.C([O-])([O-])=O.[K+].[K+].OC1C=CC=C2C=1N=CC=C2.[NH4+].[OH-]>CS(C)=O.[Cu]I.C(OCC)(=O)C>[CH3:23][O:22][C:19]1[CH:18]=[CH:17][C:16]([N:8]2[C:9]3[C:10](=[O:15])[N:11]([C:25]4[CH:30]=[CH:29][C:28]([N:31]5[CH2:36][CH2:35][CH2:34][CH2:33][C:32]5=[O:37])=[CH:27][CH:26]=4)[CH2:12][CH2:13][C:14]=3[C:6]([C:4]([OH:3])=[O:5])=[N:7]2)=[CH:21][CH:20]=1 | 1 |
NC1=CC=C2CCOC(C2=C1)=O>O.Br.N(=O)[O-].[Na+].[Cu]Br>BrC1=CC=C2CCOC(C2=C1)=O | 3 |
ClC1=C(C=C(C=C1)S(=O)(=O)N(COC)C=1C(=NC=C(C1)Cl)C(C1=C(C=CC=C1)[N+](=O)[O-])=O)C(F)(F)F>O.Cl.O1CCOCC1>ClC1=C(C=C(C=C1)S(=O)(=O)NC=1C(=NC=C(C1)Cl)C(C1=C(C=CC=C1)[N+](=O)[O-])=O)C(F)(F)F | 3 |
[CH2:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[N:8][C:7]([C:13]([O:15]CC)=[O:14])=[CH:6]2)[CH3:2]>C(O)C>[CH2:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[N:8][C:7]([C:13]([OH:15])=[O:14])=[CH:6]2)[CH3:2] | 1 |
FC1=CC=C(C=C1)C=1OC2=C(C1C(NC)=O)C=C(C=C2)C=2C(=CC(=C(C(=O)O)C2)OC)C.CC1=NC(=NC=C1)C1(CC1)N>>FC1=CC=C(C=C1)C=1OC2=C(C1C(=O)NC)C=C(C=C2)C2=C(C=C(C(=C2)C(NC2(CC2)C2=NC=CC(=N2)C)=O)OC)C | 5 |
COC1=CC=C(CCl)C=C1.BrC1=C(C=CC2=CC=CC=C12)CO>N(C)(C)C=O.O.[H-].[Na+]>BrC1=C(C=CC2=CC=CC=C12)COCC1=CC=C(C=C1)OC | 3 |
CNN.FC(C(=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)(C(C(F)(F)F)(F)F)F>>FC(C(=O)N(N)C)(C(C(F)(F)F)(F)F)F | 5 |
C([NH:4][CH:5]=[CH:6][C:7]1[CH:17]=[CH:16][C:10]([O:11][CH2:12][CH:13]2[O:15][CH2:14]2)=[C:9]([O:18][CH3:19])[CH:8]=1)(=O)C.[CH:20]([NH2:23])([CH3:22])[CH3:21].[CH:24]([OH:27])(C)[CH3:25]>>[C:24]([C:5]([NH2:4])=[CH:6][C:7]1[CH:17]=[CH:16][C:10]([O:11][CH2:12][CH:13]([OH:15])[CH2:14][NH:23][CH:20]([CH3:22])[CH3:21])=[C:9]([O:18][CH3:19])[CH:8]=1)(=[O:27])[CH3:25] | 1 |
CC([O-])(C)C.[Na+].[N:7]1[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[NH:9][CH:8]=1.CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C.N#N.FC(F)(F)S(O[C:58]1[C@@:62]2([CH3:78])[CH2:63][CH2:64][C@H:65]3[C@H:74]([C@@H:61]2[CH2:60][CH:59]=1)[CH2:73][CH:72]=[C:71]1[C@:66]3([CH3:77])[CH2:67][CH2:68][C:69](=[O:76])[N:70]1[CH3:75])(=O)=O>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]>[N:7]1([C:58]2[C@@:62]3([CH3:78])[CH2:63][CH2:64][C@H:65]4[C@H:74]([C@@H:61]3[CH2:60][CH:59]=2)[CH2:73][CH:72]=[C:71]2[C@:66]4([CH3:77])[CH2:67][CH2:68][C:69](=[O:76])[N:70]2[CH3:75])[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[N:9]=[CH:8]1 | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5](Br)=[CH:4][N:3]=1.CCCCCC.C([Li])CCC.[CH3:20][O:21][CH2:22][C:23](OC)=[O:24].Cl>C(OCC)C>[Br:1][C:2]1[N:3]=[CH:4][C:5]([C:23](=[O:24])[CH2:22][O:21][CH3:20])=[CH:6][CH:7]=1 | 1 |
C(C)(C)(C)OC(=O)N1[C@@H](CNCC1)C.BrC[B-](F)(F)F.[K+]>C1CCCO1>C(C)(C)(C)OC(=O)N1[C@@H](C[NH+](CC1)C[B-](F)(F)F)C | 3 |
C=C1OCC2C(OC(C)(C)O2)CO1.Br[CH2:15][CH:16]1[O:25][CH2:24][CH:23]2[CH:19]([O:20][C:21]([CH3:28])([CH:26]=[CH2:27])[O:22]2)[CH2:18][O:17]1>>[CH2:15]=[C:16]1[O:17][CH2:18][CH:19]2[CH:23]([O:22][C:21]([CH3:28])([CH:26]=[CH2:27])[O:20]2)[CH2:24][O:25]1 | 1 |
ClC1=CC2=C(N(C(N2)=O)C2CCN(CC2)C(=O)OCC)C=C1>O.[OH-].[Na+].[Cl-].[NH4+]>ClC1=CC2=C(N(C(N2)=O)C2CCNCC2)C=C1 | 3 |
COC=1C=C2C(=CNC2=CC1)CC(=O)O.NC=1SC(=CN1)[N+](=O)[O-]>>COC=1C=C2C(=CNC2=CC1)CC(=O)NC=1SC(=CN1)[N+](=O)[O-] | 5 |
[Si]([O:18][C:19]1[CH:57]=[CH:56][C:22]([O:23][CH2:24][C@@H:25]([OH:55])[CH2:26][NH:27][CH2:28][CH2:29][C:30]2[CH:54]=[CH:53][C:33]([NH:34][CH:35]3[CH2:40][CH2:39][N:38]([C:41]([NH:43][CH2:44][C:45]4[CH:50]=[C:49]([F:51])[CH:48]=[C:47]([F:52])[CH:46]=4)=[O:42])[CH2:37][CH2:36]3)=[CH:32][CH:31]=2)=[CH:21][CH:20]=1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1>C(Cl)(Cl)Cl.CO>[F:52][C:47]1[CH:46]=[C:45]([CH:50]=[C:49]([F:51])[CH:48]=1)[CH2:44][NH:43][C:41]([N:38]1[CH2:37][CH2:36][CH:35]([NH:34][C:33]2[CH:32]=[CH:31][C:30]([CH2:29][CH2:28][NH:27][CH2:26][C@H:25]([OH:55])[CH2:24][O:23][C:22]3[CH:21]=[CH:20][C:19]([OH:18])=[CH:57][CH:56]=3)=[CH:54][CH:53]=2)[CH2:40][CH2:39]1)=[O:42] | 1 |
Cl.CNC.Br[C@@H]1[C@@H]2N(C(=C(CS2(=O)=O)C)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)C1=O>ClCCl.C=O.CC(C)(C)O>Br[C@@H]1[C@@H]2N(C(=C(C(S2(=O)=O)=C)C)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)C1=O | 3 |
[C:1](#[N:10])[C:2]1[C:3](=[CH:6][CH:7]=[CH:8][CH:9]=1)[C:4]#[N:5].C[O-].C[O-].C[O-].[Ga+3:17]>C(O)CO>[Ga:17].[CH:7]1[CH:8]=[CH:9][C:2]2[C:3](=[C:4]3[N:5]=[C:4]4[N:10]=[C:1]([C:2]5[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=54)[N:10]=[C:1]4[NH:5][C:4]([C:3]5[CH:6]=[CH:7][CH:8]=[CH:9][C:2]=54)=[N:10][C:1]4=[N:5][C:4]([C:3]5[CH:6]=[CH:7][CH:8]=[CH:9][C:2]=54)=[N:10][C:1]=2[NH:5]3)[CH:6]=1 | 1 |
[OH:1][N:2]=[C:3]([NH2:19])[CH2:4][CH2:5][CH2:6][O:7][C:8]1[CH:9]=[C:10]2[C:15](=[CH:16][CH:17]=1)[NH:14][C:13](=[O:18])[CH2:12][CH2:11]2.[Cl:20][C:21]1[CH:29]=[CH:28][C:24]([C:25](Cl)=[O:26])=[CH:23][CH:22]=1.C(=O)([O-])[O-].[K+].[K+]>C1(C)C=CC=CC=1>[Cl:20][C:21]1[CH:29]=[CH:28][C:24]([C:25]([O:1]/[N:2]=[C:3](\[NH2:19])/[CH2:4][CH2:5][CH2:6][O:7][C:8]2[CH:9]=[C:10]3[C:15](=[CH:16][CH:17]=2)[NH:14][C:13](=[O:18])[CH2:12][CH2:11]3)=[O:26])=[CH:23][CH:22]=1 | 1 |
N1(C=NC=C1)CC(=O)O.NC=1C(=NC=CC1)NC1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].c1ccncc1.P(=O)(Cl)(Cl)Cl>N1(C=NC=C1)CC(=O)NC=1C(=NC=CC1)NC1=CC=CC=C1 | 3 |
C1COCCN1.CN1N=CC(=C1C(NC1=CC=2N(C=C1)N=C(N2)N2CCCC2)=O)C(=O)O>>N1(CCCC1)C1=NN2C(C=C(C=C2)NC(=O)C=2N(N=CC2C(=O)N2CCOCC2)C)=N1 | 5 |
[CH3:1][O:2][C:3](=[O:37])[C@@H:4]([NH:14][C:15]([C:17]1[C:18]([CH3:36])=[N:19][C:20]([NH:24][CH2:25][C:26]#[C:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([OH:34])[C:29]=2[CH3:35])=[N:21][C:22]=1[CH3:23])=[O:16])[CH2:5][NH:6][C:7]([C:9]1[S:10][CH:11]=[CH:12][CH:13]=1)=[O:8]>CO.[Pd]>[CH3:1][O:2][C:3](=[O:37])[C@@H:4]([NH:14][C:15]([C:17]1[C:22]([CH3:23])=[N:21][C:20]([NH:24][CH2:25][CH2:26][CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([OH:34])[C:29]=2[CH3:35])=[N:19][C:18]=1[CH3:36])=[O:16])[CH2:5][NH:6][C:7]([C:9]1[S:10][CH:11]=[CH:12][CH:13]=1)=[O:8] | 2 |
[Br:1][CH2:2][C:3]1[C:4]([C:17]([O:19][CH2:20][CH3:21])=[O:18])=[C:5]([S:9]([NH:12]C(C)(C)C)(=[O:11])=[O:10])[CH:6]=[CH:7][CH:8]=1>FC(F)(F)C(O)=O>[Br:1][CH2:2][C:3]1[C:4]([C:17]([O:19][CH2:20][CH3:21])=[O:18])=[C:5]([S:9]([NH2:12])(=[O:10])=[O:11])[CH:6]=[CH:7][CH:8]=1 | 1 |
NCCCCCCCN>c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)NCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)C | 3 |
COC(=O)[C@H]1N(C[C@@H](C1)OC1=CC(=NC2=CC(=CC=C12)OC)C=1N=C(SC1)NC(C)C)C([C@H](C(C)C)NC(=O)OC(C)(C)C)=O>O.C1CCCO1.CO[H].O[Li].O>C(C)(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)OC1=CC(=NC2=CC(=CC=C12)OC)C=1N=C(SC1)NC(C)C)C(=O)O)C(C)C | 3 |
ClC1=CC=CC(=N1)C1=NC(=NC(=N1)NC(C)C)NC=1C=C(C(=O)O)C=CC1>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC=CC(=N1)C1=NC(=NC(=N1)NC(C)C)NC=1C=C(C(=O)NC2CC2)C=CC1 | 3 |
COC(C1=C(C=C(C=C1)NCC=1N=C2C(=NC(=NC2=NC1)N)N)OCC(=O)OC)=O>CC#N.C=O.Cl.C(#N)[BH3-].[Na+]>NC1=NC2=NC=C(N=C2C(=N1)N)CN(C1=CC(=C(C(=O)OC)C=C1)OCC(=O)OC)C | 3 |
BrC1=C(C(=O)OC)C=CC=N1>>C1(=CC=CC=C1)C1=C(C(=O)OC)C=CC=N1 | 5 |
C(C)(C)(C)OC(NC1=C(C=CC=C1)CO)=O.BrC=1C2=C(C(N(C1)C)=O)N(C(=C2C(=O)O)C)COCC[Si](C)(C)C>C1(=CC=NC=C1)N(C)C.ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>BrC=1C2=C(C(N(C1)C)=O)N(C(=C2C(=O)OCC2=C(C=CC=C2)NC(=O)OC(C)(C)C)C)COCC[Si](C)(C)C | 3 |
[NH2:1][C:2]1[N:7]([CH2:8][CH3:9])[C:6](=[O:10])[C:5]([C:11]2[CH:16]=[CH:15][C:14](=[O:17])[NH:13][CH:12]=2)=[C:4]([C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([F:24])[CH:19]=2)[N:3]=1.[C:25](=O)([O-])[O-].[K+].[K+].IC>CS(C)=O>[NH2:1][C:2]1[N:7]([CH2:8][CH3:9])[C:6](=[O:10])[C:5]([C:11]2[CH:16]=[CH:15][C:14](=[O:17])[N:13]([CH3:25])[CH:12]=2)=[C:4]([C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([F:24])[CH:19]=2)[N:3]=1 | 1 |
FC1=C(C=CC(=C1)C(F)(F)F)C1=C(C(=NC=N1)NC1=CC=C(C=C1)OC)[N+](=O)[O-]>>FC1=C(C=CC(=C1)C(F)(F)F)C1=C(C(=NC=N1)NC1=CC=C(C=C1)O)[N+](=O)[O-] | 5 |
[C:1]([NH:8][C@@H:9]([C:14]([OH:16])=O)[C:10]([CH3:13])([CH3:12])[CH3:11])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].[OH:17][C:18]1([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1.C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl.C(N(CC)C(C)C)(C)C>CN(C=O)C>[C:4]([O:3][C:1](=[O:2])[NH:8][C@@H:9]([C:14]([N:21]1[CH2:22][CH2:23][C:18]([OH:17])([C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[CH2:19][CH2:20]1)=[O:16])[C:10]([CH3:11])([CH3:12])[CH3:13])([CH3:5])([CH3:6])[CH3:7] | 1 |
OC1=NOC2=C1C=C(C=C2)C>CCN(CC)CC.P(=O)(Cl)(Cl)Cl>ClC1=NOC2=C1C=C(C=C2)C | 3 |
C1(=CC=CC=C1)\C=C(/C)\[C@H]1[C@@H](C1)NC1CCN(CC1)CC1=CC=C(C(=O)OC)C=C1>C1CCCO1.CO[H].C(=O)(C(F)(F)F)O.[OH-].[Na+]>FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.C1(=CC=CC=C1)\C=C(/C)\[C@H]1[C@@H](C1)NC1CCN(CC1)CC1=CC=C(C(=O)O)C=C1 | 3 |
BrC1=NC=CC=N1.C(OC1=C(C=CC=C1B1OC(C(O1)(C)C)(C)C)NC(OC(C)(C)C)=O)([2H])([2H])[2H]>O.O1CCOCC1.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(OC1=C(C=CC=C1C1=NC=CC=N1)NC(OC(C)(C)C)=O)([2H])([2H])[2H] | 3 |
C(C)C=1C(=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1C[C@](CCC1)(C)O)OCC1(CC1)C=O)F)OCOC)F.C1CN(CCC12CCNCC2)CCC2=CC(=C(C(=C2)F)C2C(NC(CC2)=O)=O)F>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)C=1C(=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1C[C@](CCC1)(C)O)OCC1(CC1)CN1CCC2(CCN(CC2)CCC2=CC(=C(C(=C2)F)C2C(NC(CC2)=O)=O)F)CC1)F)OCOC)F | 3 |
Cl.Cl.Cl.[CH2:4]([O:6][CH2:7][C:8]1[N:9]([CH2:28][CH:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)[C:10]2[C:19]3[CH:18]=[CH:17][C:16]([C:20]4[CH:21]=[N:22][CH:23]=[CH:24][CH:25]=4)=[CH:15][C:14]=3[N:13]=[C:12]([NH2:26])[C:11]=2[N:27]=1)[CH3:5].C(N(CC)CC)C.[O:42]1[CH2:46][CH2:45][CH2:44][CH:43]1[C:47](O)=[O:48].Cl.CON(OC)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1>C(Cl)(Cl)Cl>[CH2:4]([O:6][CH2:7][C:8]1[N:9]([CH2:28][CH:29]2[CH2:30][CH2:31][N:32]([C:47]([CH:43]3[CH2:44][CH2:45][CH2:46][O:42]3)=[O:48])[CH2:33][CH2:34]2)[C:10]2[C:19]3[CH:18]=[CH:17][C:16]([C:20]4[CH:21]=[N:22][CH:23]=[CH:24][CH:25]=4)=[CH:15][C:14]=3[N:13]=[C:12]([NH2:26])[C:11]=2[N:27]=1)[CH3:5] | 1 |
[C:1]1([CH:7]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[N:8]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH:10]([C:17]3[CH:26]=[CH:25][C:20]4[O:21][CH2:22][CH2:23][O:24][C:19]=4[C:18]=3[OH:27])[C:9]2=[O:28])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:35]1(C(C2C=CC=CC=2)N2C3C(=CC=CC=3)C(C3C=C(C)C(OC)=CC=3O)C2=O)C=CC=CC=1>>[C:29]1([CH:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[N:8]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[C:10]3([C:17]4[CH:26]=[CH:25][C:20]5[O:21][CH2:22][CH2:23][O:24][C:19]=5[C:18]=4[O:27][CH2:35]3)[C:9]2=[O:28])[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C(=C(C=C1)CO)I)F>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C(C1=CC=CC=C1)OC1=C(C(=C(C=C1)CCl)I)F | 3 |
FC1=C(C=CC=C1F)[C@@H]1CC[C@H](C=2N(C1)C(=NN2)C(C)(C)O)NC(OC(C)(C)C)=O>Cl.O1CCOCC1>N[C@H]1C=2N(C[C@@H](CC1)C1=C(C(=CC=C1)F)F)C(=NN2)C(C)(C)O | 3 |
[C:1]([NH:4][C@H:5]([C:27](O)=[O:28])[CH2:6][S:7][C:8]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)(=[O:3])[CH3:2].Cl.[C:31]([S:36][CH2:37][CH2:38][NH2:39])(=[O:35])[CH:32]([CH3:34])[CH3:33].Cl.C(SCCN)(=O)C.Cl.C(SCCN)(=O)C1C=CC=CC=1>C(Cl)Cl.CCOCC>[C:1]([NH:4][C@H:5]([C:27]([NH:39][CH2:38][CH2:37][S:36][C:31](=[O:35])[CH:32]([CH3:34])[CH3:33])=[O:28])[CH2:6][S:7][C:8]([C:21]1[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=1)([C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1)[C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1)(=[O:3])[CH3:2] | 2 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][NH:8]2)=[CH:4][CH:3]=1.Cl[C:12]1[C:21]2[C:16](=[CH:17][C:18]([CH3:23])=[C:19]([CH3:22])[CH:20]=2)[N:15]=[CH:14][N:13]=1>>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][N:8]2[C:12]2[C:21]3[C:16](=[CH:17][C:18]([CH3:23])=[C:19]([CH3:22])[CH:20]=3)[N:15]=[CH:14][N:13]=2)=[CH:4][CH:3]=1 | 1 |
FC(C(=O)O)(F)F.N[C@H]([C@@H](CNCC1=CC(=CC=C1)OC)O)CC1=CC(=CC(=C1)F)F.C(C1=CC=CC=C1)OCCCCN(C(=O)C=1C=C(C(=O)O)C=C(C1)C)CCC>>C(C1=CC=CC=C1)OC1=CC=C(C[C@@H]([C@@H](CNCC2=CC(=CC=C2)OC)O)NC(C2=CC(C(=O)N(CCC)CCC)=CC(=C2)C)=O)C=C1 | 5 |
FC1=CC=C2C=C(N(C2=C1)S(=O)(=O)C1=CC=CC=C1)C(=O)OC>O.C1CCCO1.CCO[H].Cl.[OH-].[K+]>FC1=CC=C2C=C(N(C2=C1)S(=O)(=O)C1=CC=CC=C1)C(=O)O | 3 |
NC1=C(C(=O)O)C=CC=N1.C(C1=CC=CC=C1)OC=1C=C2CCNC(C2=CC1OC)\C=C\C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)C>>NC1=NC=CC=C1C(=O)N1C(C2=CC(=C(C=C2CC1)OCC1=CC=CC=C1)OC)\C=C\C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)C | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)C=O>O.C1CCCO1.[C-]#N.[K+]>OC(C#N)C1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
[I:1]I.I(O)(=O)=O.[CH3:7][O:8][C:9]([C:11]1[C:20]2[C:15](=[CH:16][C:17]([O:21][CH3:22])=[CH:18][CH:19]=2)[CH:14]=[CH:13][CH:12]=1)=[O:10].S(=O)(O)[O-].[Na+]>C(O)(=O)C.S(=O)(=O)(O)O.O>[CH3:7][O:8][C:9]([C:11]1[C:20]2[C:15](=[C:16]([I:1])[C:17]([O:21][CH3:22])=[CH:18][CH:19]=2)[CH:14]=[CH:13][CH:12]=1)=[O:10] | 1 |
BrC1=C(OC2=NC=C(C=N2)[N+](=O)[O-])C=CC=C1>N(C)(C)C=O.O.[OH-].[Na+].[Sn](Cl)Cl>BrC1=C(OC2=NC=C(C=N2)N)C=CC=C1 | 3 |
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