smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)Cl.C(C=CCO)O>N(C)(C)C=O.c1cnc[nH]1.ClCCl>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC=CCO | 3 |
[F:1][CH:2]([C:7]([O:9][CH3:10])=[O:8])[C:3]([O:5][CH3:6])=[O:4].C(O)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.O.[C:20]1(C)[CH:25]=[CH:24][C:23](S(O)(=O)=O)=[CH:22][CH:21]=1>C1(C)C=CC=CC=1>[F:1][CH:2]([C:7]([O:9][CH2:10][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1)=[O:8])[C:3]([O:5][CH2:6][C:20]1[CH:25]=[CH:24][... | 1 |
[F:1][CH:2]([F:33])[C:3]([C:6]1[CH:11]=[CH:10]N=[C:8]([O:12][C@@H:13]2[CH2:18][CH2:17][C@@H:16]([CH3:19])[N:15]([C:20]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[N:28]3[N:32]=[CH:31][CH:30]=[N:29]3)=[O:21])[CH2:14]2)[CH:7]=1)([OH:5])[CH3:4].N1N(C2C=CC=CC=2C(N2[C@H](C)CC[C@@H](OC3C=C(C(O)(C)C(P(=O)(OCC)OCC)(F)F)C=CN=... | 2 |
[CH3:1][O:2][C:3]1[C:4]([CH:12]=[O:13])=[N:5][C:6]([N+:9]([O-:11])=[O:10])=[CH:7][CH:8]=1.[CH2:14](O)[CH2:15][OH:16].O>C1(C)C=CC=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>[O:13]1[CH2:14][CH2:15][O:16][CH:12]1[C:4]1[C:3]([O:2][CH3:1])=[CH:8][CH:7]=[C:6]([N+:9]([O-:11])=[O:10])[N:5]=1 | 1 |
C[Mg]Cl.[O:4]1CCC[CH2:5]1.[F:9][C:10]1[CH:17]=[CH:16][CH:15]=[CH:14][C:11]=1[CH:12]=[O:13].[C:18]1(=[O:28])[O:23][C:21](=[O:22])[C:20]2=[CH:24][CH:25]=[CH:26][CH:27]=[C:19]12.Cl>O>[C:18]([OH:23])(=[O:28])[C:19]1[C:20](=[CH:24][CH:25]=[CH:26][CH:27]=1)[C:21]([OH:4])=[O:22].[F:9][C:10]1[CH:17]=[CH:16][CH:15]=[CH:14][C:11... | 1 |
[Si](C)(C)(C(C)(C)C)OCCN1C=CC2=C1N=C(N=C2C2=CC(=C(OCCC1CCN(CC1)C(=O)OC(C)(C)C)C=C2)C(F)(F)F)C#N>>Cl.OCCN1C=CC2=C1N=C(N=C2C2=CC(=C(C=C2)OCCC2CCNCC2)C(F)(F)F)C#N | 5 |
OC(=O)C(F)(F)F.CC(C#CC1=CC(=C(S1)C(=O)O)N(C(=O)[C@@H]1CC[C@H](CC1)C)[C@H](CCO)C)(C)C.ClC=1C=NC=NC1>>CC(C#CC1=CC(=C(S1)C(=O)O)N([C@H](CCOC=1C=NC=NC1)C)C(=O)[C@@H]1CC[C@H](CC1)C)(C)C | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:12]2[O:13][C:14]3[CH:20]=[CH:19][C:18]([Br:21])=[CH:17][C:15]=3[N:16]=2)[C:5]([NH:8][CH2:9][CH2:10][CH3:11])=[CH:6][CH:7]=1.[CH:22]1[C:27]([C:28]([OH:30])=[O:29])=[CH:26][C:25]2[C:31]([O:33][C:34](=O)[C:24]=2[CH:23]=1)=[O:32]>>[Br:21][C:18]1[CH:19]=[CH:20][C:14]2[O:13][C:12]([C:4]3[CH:3]=[C... | 1 |
ClC1=C2C(=NC=C1C(F)(F)F)N(C=C2)S(=O)(=O)C2=CC=CC=C2>C1CCCO1.O[Li].O>ClC1=C2C(=NC=C1C(F)(F)F)NC=C2 | 3 |
NC=1C=C(C=CC1)C(F)(F)F.C1C2N(CCN1)CCCC2.ClS(=O)(=O)C=1C=C(C(=O)Cl)C=CC1>>C1C2N(CCN1C(=O)C=1C=C(C=CC1)S(=O)(=O)NC1=CC(=CC=C1)C(F)(F)F)CCCC2 | 5 |
C=C(C)C1=C(C2=C(S1)CCC2)C(=O)OC>CO[H].[HH].[Pd]>CC(C)C1=C(C2=C(S1)CCC2)C(=O)OC | 3 |
N([C:16]([O:18][C:19]([CH3:22])(C)C)=[O:17])[C@H:2]([CH2:14]O)[CH2:3][C:4]1C=C2C(C=CC=C2)=[CH:6][CH:5]=1.[C:23](OC(OC(C)(C)C)=O)(=O)OC(C)(C)C>C(O)(C)(C)C>[CH3:22][CH2:19][O:18][C:16]([CH3:23])=[O:17].[CH3:14][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6] | 1 |
FC1=CC=C(C(=O)N[C@H]2C[C@H](CC2)NC(OCC2=CC=CC=C2)=O)C=C1>CO[H].[HH].C(C)(=O)OCC.[Pd]>N[C@H]1C[C@H](CC1)NC(C1=CC=C(C=C1)F)=O | 3 |
[C:1]([C:4]1[C:22](=[O:23])[C@@:8]2([CH3:24])[C:9]3[C:15]([OH:16])=[CH:14][C:13]([O:17][CH3:18])=[C:12]([C:19]([NH2:21])=[O:20])[C:10]=3[O:11][C:7]2=[CH:6][C:5]=1[OH:25])(=[O:3])[CH3:2].[Cl:26][C:27]1[CH:32]=[C:31]([Cl:33])[CH:30]=[CH:29][C:28]=1[S:34]([NH:37][C:38]1[CH:45]=[C:44]([CH3:46])[C:41]([CH:42]=O)=[C:40]([CH3... | 2 |
C(=O)=O.S1C(=CC=C1)C(=O)O>C1CCCO1.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC>S1C(=C(C=C1)C(=O)O)C(=O)O | 3 |
Cl.[F:2][C:3]([F:20])([F:19])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][C:13](CC#N)=[CH:12][CH:11]=2)=[CH:6][CH:5]=1.[OH-:21].[Na+].[O:23]1[CH2:28][CH2:27]OCC1>>[F:2][C:3]([F:20])([F:19])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][C:13]([CH2:27][C:28]([OH:23])=[O:21])=[CH:12][CH:11]=2)=[CH:6][CH:5]=1 | 1 |
[NH2:1][C@@H:2]1[C:8](=[O:9])[NH:7][C:6]2[CH:10]=[CH:11][CH:12]=[CH:13][C:5]=2[S:4][C@H:3]1[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[H-].[Na+].Br[CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25]>CN(C)C=O>[NH2:1][C@@H:2]1[C:8](=[O:9])[N:7]([CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:2... | 1 |
C(C1=CC=CC=C1)[C@@H]([C@@H](CN(S(=O)(=O)C1=CC(=CC=C1)NC)CC(CCC#N)(C)C)O)NC(O[C@H]1CO[C@H]2OCC[C@H]21)=O>[HH].N.[Ni]>NCCCC(CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(O[C@H]1CO[C@H]2OCC[C@H]21)=O)O)S(=O)(=O)C2=CC(=CC=C2)NC)(C)C | 3 |
ClC=1C=C(C(=O)O)C=CC1C(NC1=CC(=C(C=C1)Cl)C1=NC=CC=C1)=O>>ClC1=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=CC(=C1)C(=O)N1CCNCC1 | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[C:4](I)[CH:3]=1.[CH3:10][O:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]#[CH:19])=[CH:14][CH:13]=1.O>CN(C=O)C.C(NCC)C.[Cu]I>[F:1][C:2]1[CH:7]=[CH:6][C:5]2[O:8][C:18]([C:15]3[CH:16]=[CH:17][C:12]([O:11][CH3:10])=[CH:13][CH:14]=3)=[CH:19][C:4]=2[CH:3]=1 | 1 |
Br[C:2]1[N:3]=[CH:4][C:5]2[N:6]=[C:7]3[O:13][CH2:12][C:11]([CH3:15])([CH3:14])[N:8]3[C:9]=2[CH:10]=1.[CH:16]1([S:19]([N:22]2[CH:26]=[C:25]([C:27]3[N:32]=[C:31]([NH2:33])[CH:30]=[CH:29][N:28]=3)[CH:24]=[N:23]2)(=[O:21])=[O:20])[CH2:18][CH2:17]1.C1(P(C2C=CC=CC=2)C2C3OC4C(=CC=CC=4P(C4C=CC=CC=4)C4C=CC=CC=4)C(C)(C)C=3C=CC=2... | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][CH2:11][O:12][C:13]2[CH:18]=[CH:17][C:16]([CH2:19][C@H:20]([O:24][CH2:25][CH3:26])[C:21]([OH:23])=[O:22])=[CH:15][CH:14]=2)=[CH:4][CH:3]=1.[C:27]([O:31][C:32]([NH:34][C:35](=[N:38][C:39]([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40])SC)=[O:33])([CH3:30])([CH3:29... | 1 |
ClC1=C(C(=NC(=N1)C1=C(C=CC(=C1)OC)C(F)(F)F)C=1C(=NOC1C)C)C>>ClC1=NC(=NC(=C1C)C=1C(=NOC1C)C)C=1C=C(C=CC1C(F)(F)F)O | 5 |
Cl.[CH:2]([C:5]1[CH:6]=[C:7]([C@@H:11]([NH2:13])[CH3:12])[CH:8]=[CH:9][CH:10]=1)([CH3:4])[CH3:3].[CH3:14][O:15][C:16](=[O:42])[C:17]([O:20][C:21]1[CH:22]=[C:23]([CH:39]=[CH:40][CH:41]=1)[CH2:24][N:25]1[C:33]2[C:28](=[CH:29][C:30]([C:34](O)=[O:35])=[CH:31][CH:32]=2)[C:27]([CH3:37])=[C:26]1[CH3:38])([CH3:19])[CH3:18]>>[C... | 1 |
O1CCCC=C1.C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](COCC(C)(C)O)C(=O)O>C1CCCO1.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](COCC(C)(OC1OCCCC1)C)C(=O)O | 3 |
C1(=CC=CC=C1)[Se]Br.C1(=CC=CC=C1)C1OC[C@H]2N1C(CC2)=O>O(O[H])[H].C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C1(=CC=CC=C1)C1OC[C@H]2N1C(C=C2)=O | 3 |
[CH:1]1[C:11]2[C:10]3[CH:12]=[CH:13][CH:14]=[CH:15][C:9]=3[CH2:8][N:7]([C:16]#[N:17])[CH2:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.[OH:18][CH2:19][CH2:20][NH:21][C:22](=[O:26])[O:23][CH2:24][CH3:25]>>[CH:1]1[C:11]2[C:10]3[CH:12]=[CH:13][CH:14]=[CH:15][C:9]=3[CH2:8][N:7]([C:16](=[NH:17])[O:18][CH2:19][CH2:20][NH:21][C:22]([O:23][... | 1 |
C(C=C)N>>N1(C=NC=C1)C(=O)NCC=C | 5 |
CS(=O)(=O)Cl.COC1=C(CNC2=NC3=C4C(=CC=C3C=3N2N=C(N3)C[C@H](C)O)OC(O4)(F)F)C=CC(=C1)OC>ClCCl.CCN(CC)CC>CS(=O)(=O)O[C@H](CC1=NN2C(=NC3=C4C(=CC=C3C2=N1)OC(O4)(F)F)NCC4=C(C=C(C=C4)OC)OC)C | 3 |
C(CCC)C=1N(C(=CN1)COC(C)=O)CC1=C(C=CC=C1)Cl>>C(CCC)C=1N(C(=CN1)CO)CC1=C(C=CC=C1)Cl | 5 |
BrC1=CC(=C(C(=O)O)C=C1)F>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>BrC1=CC(=C(C(=O)N2CCCC2)C=C1)F | 3 |
[Li+].[OH-].[CH3:3][C:4]1[O:8][N:7]=[C:6]([C:9]([NH:11][C@H:12]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([C:21]([O:23]C)=[O:22])[CH:19]=3)[CH2:14][CH2:13]2)=[O:10])[CH:5]=1>O.CO.C1COCC1>[CH3:3][C:4]1[O:8][N:7]=[C:6]([C:9]([NH:11][C@H:12]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([C:21]([OH:23])=[O:22])[CH:19]=3)[CH2:14][CH2:13]... | 1 |
C(C)(C)C1=C(NC2=CC=CC=C12)CO>C(C)(=O)OCC.[O-2].[O-2].[Mn+4]>C(C)(C)C1=C(NC2=CC=CC=C12)C=O | 3 |
CN(/C=C/C(C1=CC2=CC=C(C=C2C=C1)N(C)C)=C(C#N)C#N)C>>ClC1=C(C#N)C(=CC=N1)C1=CC2=CC=C(C=C2C=C1)N(C)C | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([Br:21])=[CH:17][CH:16]=2)[CH2:10][CH:9]1[CH2:22][CH3:23])=[O:7])([CH3:4])([CH3:3])[CH3:2].Br[CH2:25][C:26]1[CH:31]=[C:30]([C:32]([F:35])([F:34])[F:33])[CH:29]=[C:28]([C:36]([F:39])([F:38])[F:37])[CH:27]=1.C(=O)([O-])[O-].[K+].[K+].[I-].... | 2 |
[N:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[NH:3][CH:2]=1.[Li:10]CCCC.CCCCCC>C1COCC1>[N:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N-:3][CH:2]=1.[Li+:10] | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[S:15][C:16]1[CH:17]=[C:18]([CH:20]=[CH:21][CH:22]=1)[NH2:19].[C:23]([C:27]1[CH:31]=[C:30]([NH:32][C:33](=O)[O:34]C2C=CC=CC=2)[N:29]([C:42]2[CH:43]=[C:44]([CH3:48])[CH:45]=[CH:46][CH:47]=2)[N:28]=1)([CH3:26])([CH3:25])[CH3:24]>... | 1 |
COC(=O)C=1C=C2C(=CC(=NC2=CC1)C1=C(C=CC=C1)Br)C>[OH-].[Na+].O1CCOCC1>BrC1=C(C=CC=C1)C1=NC2=CC=C(C=C2C(=C1)C)C(=O)O | 3 |
ClC(C)C1=NOC(=N1)C1=CC(=CC=C1)Cl.N1=CC=C(C=C1)C1=NN=C2N1CCCC2C(=O)OCC>N(C)(C)C=O.[H-].[Na+]>ClC=1C=C(C=CC1)C1=NC(=NO1)C(C)C1(C=2N(CCC1)C(=NN2)C2=CC=NC=C2)C(=O)OCC | 3 |
C1(=C2N(C=N1)CCC2)C(C(=O)OCC)N2C(C1=CC(=CC(=C1C2)F)I)=O.CC1(OB(OC1(C)C)C1=CC=C(C=C1)CC1CCN(CC1)C(=O)OC(C)(C)C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>C1(=C2N(C=N1)CCC2)C(C(=O)OCC)N2CC1=C(C=C(C=C1C2=O)C2=CC=C(C=C2)CC2CCN(CC2... | 3 |
FC(F)(F)S(O[C:7]1[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][CH:8]=1)(=O)=O.[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=1B(O)O.C([O-])([O-])=O.[Na+].[Na+]>COCCOC.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... | 1 |
[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:22])[NH:7][CH2:8][C@@H:9]1[CH2:14][CH2:13][CH2:12][N:11](C(OC(C)(C)C)=O)[CH2:10]1.C(O)(C(F)(F)F)=O.[OH-].[Na+]>C(Cl)Cl>[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:22])[NH:7][CH2:8][C@@H:9]1[CH2:14][CH2:13][CH2:12][NH:11][CH2:10]1 | 1 |
CS(O[CH2:6][CH:7]1[CH2:11][C:10]2[CH:12]=[C:13]([CH3:17])[CH:14]=[C:15]([Cl:16])[C:9]=2[O:8]1)(=O)=O.[N-:18]=[N+:19]=[N-:20].[Na+].C1OCCOCCOCCOCCOC1.O>C(#N)C>[N:18]([CH2:6][CH:7]1[CH2:11][C:10]2[CH:12]=[C:13]([CH3:17])[CH:14]=[C:15]([Cl:16])[C:9]=2[O:8]1)=[N+:19]=[N-:20] | 2 |
[NH:1](C(OC(C)(C)C)=O)[C@H:2]([C:10]([NH:12][C@H:13]([C:24]([OH:26])=[O:25])[CH2:14][CH2:15][CH2:16][NH:17][C:18](=[NH:23])[NH:19][N+:20]([O-:22])=[O:21])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.Cl.CC(O)=O.C(OCC)C>CO>[NH2:1][C@H:2]([C:10]([NH:12][C@H:13]([C:24]([OH:26])=[O:25])[CH2:14][CH2:15][CH2:16][NH... | 1 |
C[C@H](C(=O)NC1=CC(=C(C=C1)OC)NS(=O)(=O)C1=CC=C(C=C1)C=1OC(=CC1)C)NC(OC(C)(C)C)=O>>Cl.CC1=CC=C(O1)C1=CC=C(C=C1)S(=O)(=O)NC=1C=C(C=CC1OC)NC([C@H](N)C)=O | 5 |
CB1OB(OB(O1)C)C.ClC=1C(=NC2=CC=C(C=C2N1)F)C(=O)OCC>>FC=1C=C2N=C(C(=NC2=CC1)C(=O)OCC)C | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:12](O)([CH3:13])[O:11][C:10](=O)[C:9]=2[C:16]2[S:17][CH:18]=[CH:19][CH:20]=2)=[CH:4][CH:3]=1.O.[NH2:22][NH2:23]>C(O)CCC>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:12]([CH3:13])=[N:23][NH:22][C:10](=[O:11])[C:9]=2[C:16]2[S:17][CH:18]=[CH:19][CH:20]=2)=[CH:4][CH:3]=1 | 1 |
[CH3:1][C:2]1([CH3:23])[C:18]2=[CH:19][CH:20]=[N:21][CH:22]=[C:17]2[C:5]2[C:6]([OH:16])=[CH:7][C:8]([CH:10]([CH2:12][CH:13]3[CH2:15][CH2:14]3)[CH3:11])=[CH:9][C:4]=2[O:3]1.[C:24](OC(=O)C)(=[O:26])[CH3:25]>N1C=CC=CC=1>[C:24]([O:16][C:6]1[C:5]2[C:17]3[C:18]([C:2]([CH3:1])([CH3:23])[O:3][C:4]=2[CH:9]=[C:8]([CH:10]([CH2:12... | 1 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6](/[CH:9]=[C:10](\[CH3:13])/[CH2:11][OH:12])=[CH:5][CH:4]=1)[CH3:2].[C:14](OC(=O)C)(=[O:16])[CH3:15].N1C=CC=CC=1>CN(C1C=CN=CC=1)C.ClCCl>[C:14]([O:12][CH2:11]/[C:10](/[CH3:13])=[CH:9]/[C:6]1[CH:7]=[CH:8][C:3]([CH2:1][CH3:2])=[CH:4][CH:5]=1)(=[O:16])[CH3:15] | 1 |
C(C)(=O)C=1C=C(C=O)C=CC1.N1(CCOCC1)C=1C=2N(N=C(C1)NN)C=C(N2)C2=CC=NC=C2>CCO[H]>C(C)(=O)C=1C=C(C=NNC=2C=C(C=3N(N2)C=C(N3)C3=CC=NC=C3)N3CCOCC3)C=CC1 | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)N1N=CC=C1>CCO[H].[HH].[Pd]>NC1=CC=C(C=C1)N1N=CC=C1 | 3 |
BrC1=CC2=C(N(N=C2C=C1)C1OCCCC1)C(C)C>O1CCOCC1.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]>C(C)(C)C=1N(N=C2C=CC(=CC12)B1OC(C(O1)(C)C)(C)C)C1OCCCC1 | 3 |
O[C:2]1[C:11]2[C:6](=[C:7]([CH3:12])[CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([C:13]([O:15][CH2:16][CH3:17])=[O:14])[N:3]=1.O=P(Cl)(Cl)[Cl:20]>CN(C=O)C>[Cl:20][C:2]1[C:11]2[C:6](=[C:7]([CH3:12])[CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([C:13]([O:15][CH2:16][CH3:17])=[O:14])[N:3]=1 | 1 |
ClC1=CC(=C(C=C1)C1=NC(=NC(=C1C(C(=O)OC)CCC)C)C1=CC=CC=C1)OC>CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)C1=NC(=NC(=C1C(C(=O)O)CCC)C)C1=CC=CC=C1 | 3 |
[NH2:1][C:2]([C:4]1[CH:5]=[N:6][C:7]2[C:12]([C:13]=1[NH:14][C:15]1[CH:16]=[CH:17][C:18]([C:25]3[O:26][CH:27]=[CH:28][CH:29]=3)=[C:19]([CH:24]=1)[C:20]([O:22]C)=[O:21])=[CH:11][CH:10]=[C:9]([C:30]1[C:31]([O:38][CH3:39])=[N:32][C:33]([O:36][CH3:37])=[N:34][CH:35]=1)[CH:8]=2)=[O:3].[OH-].[Na+]>CO>[NH2:1][C:2]([C:4]1[CH:5]... | 2 |
[N+](=O)([O-])C=1C=CC(=C(OCC2CCNCC2)C1)C(C(F)(F)F)(F)F>>C(C)(C)N1CCC(CC1)COC1=C(C=CC(=C1)[N+](=O)[O-])C(C(F)(F)F)(F)F | 5 |
ClC=1C(=C(C=C2C=C(N=CC12)N)C=1C=NC=CC1C)F.O=C1C2C(C2CO1)C(=O)OCC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC=1C(=C(C=C2C=C(N=CC12)NC(=O)C1C(C1CO)C(=O)OCC)C=1C=NC=CC1C)F | 3 |
O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)OCCC1CC2(CN(C2)C2=CC=C(C(=O)OC(C)(C)C)C=C2)C1)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)OCCC1CC2(CN(C2)C2=CC=C(C(=O)O)C=C2)C1)=O)=O | 3 |
C(C)(C)(C)OC(=O)N1C2CC(CC1CC2)C2C1=CC=CC=C1OC=1C=C(C=CC21)C(N(CC)CC)=N>C(=O)(C(F)(F)F)O.ClCCCl>C12CC(CC(CC1)N2)C2C1=CC=CC=C1OC=1C=C(C=CC21)C(=N)N(CC)CC | 3 |
[N:1]1([C:7]2[S:8][CH2:9][C:10](=[O:12])[N:11]=2)[CH2:6][CH2:5][S:4][CH2:3][CH2:2]1.[C:13]([C:16]1[CH:17]=[C:18]([CH:21]=[CH:22][CH:23]=1)[CH:19]=O)([OH:15])=[O:14].C([O-])(=O)C.[Na+]>C(O)(=O)C>[O:12]=[C:10]1[C:9](=[CH:19][C:18]2[CH:17]=[C:16]([CH:23]=[CH:22][CH:21]=2)[C:13]([OH:15])=[O:14])[S:8][C:7]([N:1]2[CH2:2][CH2... | 2 |
OC(C)C12OCC(CC1)(CC2)NC(OC(C)(C)C)=O>>C(C)(=O)C12OCC(CC1)(CC2)NC(OC(C)(C)C)=O | 5 |
NC1CCNCC1.FC1=C(C(=CC=C1)F)N1C(NCC2=C1N=C(N=C2C=2C=C(C=CC2C)NC(C2=CC(=C(C=C2)C)F)=O)S(=O)(=O)C)=O>C1CCCO1.N>NC1CCN(CC1)C=1N=C(C2=C(N(C(NC2)=O)C2=C(C=CC=C2F)F)N1)C=1C=C(C=CC1C)NC(C1=CC(=C(C=C1)C)F)=O | 3 |
ClC=1C=CC(=NC1)[C@](CC1=CC=CC=C1)(C1=CC(=CC(=C1)OC(C(F)F)(F)F)F)NC(=O)[C@@H]1N(CC(C1)(F)F)C(=O)OC(C)(C)C>>ClC=1C=CC(=NC1)[C@](CC1=CC=CC=C1)(C1=CC(=CC(=C1)OC(C(F)F)(F)F)F)NC(=O)[C@@H]1NCC(C1)(F)F | 5 |
ClC(=O)OC.BrC=1C=C(N)C=CC1>>BrC=1C=C(C=CC1)NC(OC)=O | 5 |
Br[CH2:2][CH2:3][CH2:4][C:5]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[N+:13]([O-:15])=[O:14])=[O:6].[OH-].[Na+]>O.C(OCC)C>[CH:4]1([C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[N+:13]([O-:15])=[O:14])=[O:6])[CH2:2][CH2:3]1 | 1 |
[C:1](#[N:3])[CH3:2].[Li+].CC([N-]C(C)C)C.[C:12]12([CH2:19][O:20][C:21]3[CH:22]=[C:23]([CH:26]=[CH:27][CH:28]=3)[CH:24]=[O:25])[O:18][CH:17]1[CH2:16][CH2:15][CH2:14][CH2:13]2.C(#N)C.[Li]>C1COCC1.CCCCCCC.C1COCC1.C(C1C=CC=CC=1)C>[C:12]12([CH2:19][O:20][C:21]3[CH:22]=[C:23]([CH:24]([OH:25])[CH2:2][C:1]#[N:3])[CH:26]=[CH:2... | 1 |
CNC1CCCCC1.CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@@]4(C=5C(=COC5C3=O)C(=O)O[C@@H]4COC)C)C>ClCCl>C(C)(=O)O[C@@H]1C[C@@]2([C@H](CCC2C=2C(C(=C3\C(\C(O[C@@H]([C@@]3(C21)C)COC)=O)=C/N(C)C2CCCCC2)O)=O)O)C | 3 |
[CH3:1][C:2]1[C:3]([CH3:12])=[CH:4][C:5]2[S:9][C:8]([NH2:10])=[N:7][C:6]=2[CH:11]=1.[F:13][C:14]([F:25])([F:24])[C:15]1[CH:16]=[C:17]([CH:21]=[CH:22][CH:23]=1)[C:18](Cl)=[O:19].C[O:27][C:28]1[CH:37]=CC2N=C(N)SC=2C=1.ClC1C=C(C=CC=1)C(Cl)=[O:43]>>[CH3:1][C:2]1[C:3]([CH3:12])=[CH:4][C:5]2[S:9][C:8](=[N:10][C:18](=[O:19])[... | 2 |
[ClH:1].Cl.[C@H]1(C[N:14]2[CH2:19][CH2:18][CH:17]([NH:20][C:21]([C:23]3[NH:24][C:25]4[C:30]([CH:31]=3)=[C:29]([O:32][CH2:33][C:34]3[C:38]5[C:39]([F:44])=[CH:40][C:41]([F:43])=[CH:42][C:37]=5[O:36][CH:35]=3)[CH:28]=[CH:27][CH:26]=4)=[O:22])[CH2:16][CH2:15]2)[C@@H]2N(CCCC2)CCC1.Cl.Cl.Cl.NC1CCN([CH2:55][CH2:56][N:57]2[CH2... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][C:20]=1[N+:21]([O-])=O)[NH:5][C:6]1[CH:11]=[CH:10][N:9]=[C:8]([NH:12][C:13]([CH:15]2[CH2:17][CH2:16]2)=[O:14])[CH:7]=1>CO.[Pd]>[NH2:21][C:20]1[CH:19]=[CH:18][C:4]([NH:5][C:6]2[CH:11]=[CH:10][N:9]=[C:8]([NH:12][C:13]([CH:15]3[CH2:17][CH2:16]3)=[O:14])[CH:7]=2)=[CH:3][C:2]=1[F:1] | 1 |
C(C=C)(=O)Cl.ClC=1C=C2C(=NC(=NC2=CC1C1=C(C=CC(=N1)N)C(F)(F)F)OC[C@H]1N(CCC1)C)N1CCNCC1>ClCCl.C(C)(C)N(C(C)C)CC>NC1=CC=C(C(=N1)C1=C(C=C2C(=NC(=NC2=C1)OC[C@H]1N(CCC1)C)N1CCN(CC1)C(C=C)=O)Cl)C(F)(F)F | 3 |
C(#N)N=C(SC)SC.NCCSC=1C(=NON1)C1=NOC(N1C1=CC(=C(C=C1)F)C(F)F)=O>CC#N.CCO[H].O.NN>NC=1NC(=NN1)NCCSC=1C(=NON1)C(NC1=CC(=C(C=C1)F)C(F)F)=NO | 3 |
C(OC([NH:11][C:12]12[CH2:18][C:15]([C:19]([OH:21])=[O:20])([CH2:16][CH2:17]1)[CH2:14][CH2:13]2)=O)C1C=CC=CC=1.CO.Cl.[H][H]>[Pd].CO.C(OCC)(=O)C>[NH2:11][C:12]12[CH2:18][C:15]([C:19]([OH:21])=[O:20])([CH2:14][CH2:13]1)[CH2:16][CH2:17]2 | 1 |
[OH:1][C:2]1[C:9]([O:10][CH2:11][CH2:12][CH3:13])=[CH:8][C:5]([CH:6]=O)=[CH:4][C:3]=1[N+:14]([O-:16])=[O:15].[C:17]1([C:23](=O)[CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[NH2:32][C:33]([NH2:35])=[O:34].Cl>C(O)C>[OH:1][C:2]1[C:9]([O:10][CH2:11][CH2:12][CH3:13])=[CH:8][... | 1 |
BrCCN(C1=CC=C(C=C1)N=NC=1SC(=C(N1)Cl)[N+](=O)[O-])CC>>[Br-].ClC=1N=C(SC1[N+](=O)[O-])N=NC1=CC=C(C=C1)N(CCN1C=[N+](C=C1)C)CC | 5 |
N1=CN=C(C2=C1NC=C2)N2C[C@@H](CC2)N(C2=NC=C(C=C2)C#C[Si](C)(C)C)C>>N1=CN=C(C2=C1NC=C2)N2C[C@@H](CC2)N(C2=NC=C(C=C2)C#C)C | 5 |
ClC1=CC=C(CCl)C=C1.C(C)C(C=O)CC>C1(=CC=CC=C1)C.[OH-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=CC=C(CC(C=O)(CC)CC)C=C1 | 3 |
CC1=NC(=CC=C1C(=O)C1=CN=NN1C)C.BrC=1C=C2C(=C(C(=NC2=CC1)OC)CC1CCC(CC1)(F)F)Cl>>ClC1=C(C(=NC2=CC=C(C=C12)C(O)(C1=CN=NN1C)C=1C(=NC(=CC1)C)C)OC)CC1CCC(CC1)(F)F | 5 |
C1(CC1)C=1OC(=NN1)C1=CC=C(C=C1)[N+](=O)[O-]>CO[H].[HH].[Al].[Ni]>C1(CC1)C1=NN=C(O1)C1=CC=C(N)C=C1 | 3 |
ClC=1C=CC2=C(N=C(S2)C(CN(C)C)C)C1>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].C(O)([O-])=O.[Na+].B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CN(CC(C)C=1SC2=C(N1)C=... | 3 |
FC=1C(=CN(C1C=1C(=NC=CC1)F)S(=O)(=O)N1CCOCC1)CN(C(OC(C)(C)C)=O)C>>Cl.FC=1C(=CN(C1C=1C(=NC=CC1)F)S(=O)(=O)N1CCOCC1)CNC | 5 |
[CH2:1]([C@H:4]1[CH2:9][CH2:8][C@H:7]([C:10]2[CH:15]=[C:14]([F:16])[C:13](I)=[C:12]([F:18])[CH:11]=2)[CH2:6][CH2:5]1)[CH2:2][CH3:3].[C:19]([C@H:21]1[CH2:26][CH2:25][C@H:24]([CH2:27][CH2:28][CH3:29])[CH2:23][CH2:22]1)#[CH:20]>C(N(CC)CC)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=C... | 1 |
C(C)(C)(C)OC(NC1(C(CCC1)O[Si](C)(C)C(C)(C)C)CNC1=C(C(=C(C=C1)C#N)Cl)C)=O>>C(C)(C)(C)OC(NC1(C(CCC1)O)CNC1=C(C(=C(C=C1)C#N)Cl)C)=O | 5 |
[CH3:1][O:2][C:3]1[CH:11]=[C:10]2[C:6]([CH2:7][N:8]([C:13]3[CH:21]=[C:20]4[C:16]([CH:17]=[CH:18][N:19]4[CH2:22][C:23]#[N:24])=[CH:15][CH:14]=3)[C:9]2=[O:12])=[CH:5][CH:4]=1>O1CCCC1>[NH2:24][CH2:23][CH2:22][N:19]1[C:20]2[C:16](=[CH:15][CH:14]=[C:13]([N:8]3[CH2:7][C:6]4[C:10](=[CH:11][C:3]([O:2][CH3:1])=[CH:4][CH:5]=4)[C... | 2 |
COC(=O)C1=NC=C(C=C1)Br.CC1(OC(OC1(C)C)C1=CCN(CC1)C(=O)OC(C)(C)C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].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)(C)(C)OC(=O)N1CCC(=CC1)C=1C=CC(=NC1)C(=O)OC | 3 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C@@H:11]2[N:20]([C:21]3[CH:22]=[CH:23][C:24]([Cl:27])=[CH:25][N:26]=3)[C:18](=[O:19])[C:13]3[N:14]=[CH:15][CH:16]=[N:17][C:12]2=3)=[O:9])[CH2:4][CH2:3]1.O1CCCC1.[C:33]([OH:45])(=[O:44])[CH2:34][C:35]([CH2:40][C:41]([OH:43])=[O:42])([C:37]([OH:39])=[O:38])[OH:36].CN1CCN(C(OC... | 2 |
FC1=CC(=C(C=C1)O)OC.BrC1=CC=C(C(=C1C(=O)O)F)C(F)(F)F>[Cu]I.C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(C(=O)O)C(=CC=C1C(F)(F)F)OC1=C(C=C(C=C1)F)OC | 3 |
[C:1]([O:5][C:6](=[O:18])[NH:7][C:8]1[CH:13]=[CH:12][C:11]([CH3:14])=[C:10]([N+:15]([O-])=O)[CH:9]=1)([CH3:4])([CH3:3])[CH3:2].O1CCCC1>C(O)C.[C].[Pd]>[C:1]([O:5][C:6](=[O:18])[NH:7][C:8]1[CH:13]=[CH:12][C:11]([CH3:14])=[C:10]([NH2:15])[CH:9]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
O=C1N(CCC(C1)=O)C(=O)OC(C)(C)C>C1CCCO1.BrN1C(CCC1=O)=O>BrC1C(N(CCC1=O)C(=O)OC(C)(C)C)=O | 3 |
[C:1]1([C:7]2[N:12]=[C:11]([C:13]([C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([C:35]4[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=4)[N:30]=3)([C:15]3[NH:16][CH:17]([C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=4)[N:18](COC)[CH:19]=3)O)[CH:10]=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[PH2](O)=O.I>C(O)(=O)C>[C:1]1([C:7]2[N:12]=... | 2 |
ClC1=NC2=C(C=CC=C2C(=N1)Cl)OC.Cl.Cl.N[C@H]1CNCCC1>>ClC1=NC2=C(C=CC=C2C(=N1)N1C[C@@H](CCC1)NC(C)=O)OC | 5 |
[NH2:1][CH2:2][C:3]1[NH:7][C:6]2[CH:8]=[CH:9][CH:10]=[C:11]([C:12]([NH:14][C:15]3[CH:39]=[CH:38][C:18]([C:19]([N:21]([CH3:37])[C:22]4[CH:27]=[CH:26][C:25]([CH3:28])=[CH:24][C:23]=4[O:29]CC4C=CC=CC=4)=[O:20])=[CH:17][C:16]=3[O:40][CH3:41])=[O:13])[C:5]=2[N:4]=1.[H][H]>CO.[OH-].[Pd+2].[OH-]>[NH2:1][CH2:2][C:3]1[NH:7][C:6... | 1 |
ClCCCC(C(=O)OC)(OC)C1=CC=C(C=C1)F>>ClCCCC(C(=O)O)(OC)C1=CC=C(C=C1)F | 5 |
COCCC(=O)Cl.C(C1=CC=CC=C1)OC=1C=C2C(=C(C=NC2=CC1)N)NC>>C(C1=CC=CC=C1)OC1=CC=2C3=C(C=NC2C=C1)N=C(N3C)CCOC | 5 |
COC1=CC=C(CNCC2=CC=C(C=C2)OC)C=C1.BrC1=CN=CC2=C1N=CN=C2Cl>>BrC1=CN=CC2=C1N=CN=C2N(CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)OC | 5 |
FC(C=1C=C2N=C(C=3N(C2=CC1)C=CN3)NCCCO)(F)F>II.F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F>IC1=CN=C2N1C1=CC=C(C=C1N=C2NCCCO)C(F)(F)F | 3 |
OC=1C=NC=CC1.ClC1=NC(=CC=C1C=CC(=O)O)C(F)(F)F>C1CCCO1.[H-].[Na+]>N1=CC(=CC=C1)OC1=C(C=CC(=C1)C(F)(F)F)C=CC(=O)O | 3 |
CC1=CC=CC(=N1)C(=O)O.FC(C1=CC=C(C=C1)S(=O)(=O)N1CCNCC1)(F)F>N(C)(C)C=O.O.ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>CC1=CC=CC(=N1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F | 3 |
[CH3:1][C:2]1[N:7]=[C:6]([NH2:8])[CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[C:16](Cl)(=[O:21])[C:17]([CH3:20])([CH3:19])[CH3:18]>ClCCl>[CH3:18][C:17]([CH3:20])([CH3:19])[C:16]([NH:8][C:6]1[CH:5]=[CH:4][CH:3]=[C:2]([CH3:1])[N:7]=1)=[O:21] | 1 |
[S:1]1[CH:5]=[CH:4][C:3]2[S:6][CH:7]=[CH:8][C:2]1=2.C([Li])CCC.Cl[Si:15]([CH3:18])([CH3:17])[CH3:16]>O1CCCC1>[CH3:16][Si:15]([CH3:18])([CH3:17])[C:5]1[S:1][C:2]2[CH:8]=[CH:7][S:6][C:3]=2[CH:4]=1 | 2 |
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