smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(OC(C)(C)C)N1CCC(CC1)CC(=O)O.FC=1C=C(CN)C=CC1F>>C(C)(C)(C)OC(=O)N1CCC(CC1)CC(=O)NCC1=CC(=C(C=C1)F)F | 5 |
S(=O)(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].F[B-](F)(F)F.FC([S+]1C2=C(C3=C1C=CC=C3)C=CC=C2)(F)F>>FC(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.FC([S+]1C2=C(C3=C1C=CC=C3)C=CC=C2)(F)F | 5 |
C([O:9][CH2:10][C:11]1[C:15]([C:16]2[C:21]([CH3:22])=[C:20]([NH:23][CH:24]3[CH2:29][CH2:28][O:27][CH2:26][CH2:25]3)[N:19]=[C:18]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([O:36][CH2:37][CH:38]([O:49][Si:50]([C:53]([CH3:56])([CH3:55])[CH3:54])([CH3:52])[CH3:51])[CH2:39][N:40]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH3:41])[CH:31]=3)[N:17]=2)=[C:14]([CH3:57])[O:13][N:12]=1)(=O)C1C=CC=CC=1.[OH-].[Na+]>CO.O>[Si:50]([O:49][CH:38]([CH2:37][O:36][C:32]1[CH:33]=[CH:34][CH:35]=[C:30]([C:18]2[N:17]=[C:16]([C:15]3[C:11]([CH2:10][OH:9])=[N:12][O:13][C:14]=3[CH3:57])[C:21]([CH3:22])=[C:20]([NH:23][CH:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[N:19]=2)[CH:31]=1)[CH2:39][N:40]([CH3:41])[C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])([C:53]([CH3:55])([CH3:56])[CH3:54])([CH3:52])[CH3:51] | 2 |
C1(C)C=CC=CC=1.[CH3:8][C:9]1[CH:14]=[CH:13][C:12]([C:15](=[O:19])[C:16](O)=[O:17])=[CH:11][CH:10]=1.S(Cl)([Cl:22])=O>CN(C)C=O>[CH3:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]([C:16]([Cl:22])=[O:17])=[O:19])=[CH:11][CH:10]=1 | 2 |
C(#C)C1=CN=C2N1N=C(C=C2)C2=CC=C(C(=O)O)C=C2>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>C(#C)C1=CN=C2N1N=C(C=C2)C2=CC=C(C=C2)C(=O)N2CCOCC2 | 3 |
[CH2:1]([O:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH:10]1[NH:15][C:16]([C:18]1[N:19]([CH2:24][C:25](=[O:41])[NH:26][CH:27]2[CH2:32][CH2:31][CH2:30][CH2:29][CH:28]2[O:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[N:20]=[C:21]([NH2:23])[CH:22]=1)=[O:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:42]1([S:48](Cl)(=[O:50])=[O:49])[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1>N1C=CC=CC=1.[Cl-].[Na+].O>[CH2:1]([O:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH:10]1[NH:15][C:16]([C:18]1[N:19]([CH2:24][C:25](=[O:41])[NH:26][CH:27]2[CH2:32][CH2:31][CH2:30][CH2:29][CH:28]2[O:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[N:20]=[C:21]([NH:23][S:48]([C:42]2[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=2)(=[O:50])=[O:49])[CH:22]=1)=[O:17])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
ClC1=C(OCC(=O)OCC)C=CC(=C1)NC1=NC=NC2=CC=CC(=C12)OC1CCN(CC1)C>c1ccncc1.CCO[H].O.NN>ClC1=C(OCC(=O)NN)C=CC(=C1)NC1=NC=NC2=CC=CC(=C12)OC1CCN(CC1)C | 3 |
BrC1=C(C=CC=C1)C.NC=1C(=C(C=CC1)NC1=C(C(CCC1)=O)C)Cl>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>ClC1=C(C=CC=C1NC1=C(C=CC=C1)C)NC1=C(C(CCC1)=O)C | 3 |
ClC1=NN=C(C2=CC=CC=C12)Cl.C(C)(C)(C)OC(=O)N1[C@H](CNCC1)C>CCN(CC)CC>ClC1=NN=C(C2=CC=CC=C12)N1C[C@@H](N(CC1)C(=O)OC(C)(C)C)C | 3 |
[CH:1]([N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([C:13]([O:15]C)=[O:14])=[CH:5]1)([CH3:3])[CH3:2].[OH-].[Na+].Cl>C1COCC1>[CH:1]([N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([C:13]([OH:15])=[O:14])=[CH:5]1)([CH3:3])[CH3:2] | 1 |
[N+:1]([C:4]1[C:9](F)=[CH:8][CH:7]=[CH:6][N:5]=1)([O-:3])=[O:2].Cl.[C:12]([N:22]1[CH2:27][CH2:26][NH:25][CH:24]([C:28]([OH:30])=[O:29])[CH2:23]1)([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13].C(N(CC)CC)C>CS(C)=O>[N+:1]([C:4]1[C:9]([N:25]2[CH2:26][CH2:27][N:22]([C:12]([O:14][CH2:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[O:13])[CH2:23][CH:24]2[C:28]([OH:30])=[O:29])=[CH:8][CH:7]=[CH:6][N:5]=1)([O-:3])=[O:2] | 1 |
[F:1][C:2]1[C:3]([O:14][CH3:15])=[C:4]([CH:8]=[C:9]([N+:11]([O-])=O)[CH:10]=1)[C:5]([NH2:7])=[O:6].[ClH:16]>C(OCC)(=O)C>[ClH:16].[NH2:11][C:9]1[CH:10]=[C:2]([F:1])[C:3]([O:14][CH3:15])=[C:4]([CH:8]=1)[C:5]([NH2:7])=[O:6].[ClH:16] | 2 |
C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1CCOC1.[2H]C(I)([2H])[2H].C(C)(C)(C)[C@@H]1OC[C@@H](N1C(=O)OC(C)(C)C)C(=O)OC>C1CCCO1.[Cl-].[NH4+]>C(C)(C)(C)[C@@H]1OC[C@@](N1C(=O)OC(C)(C)C)(C(=O)OC)C([2H])([2H])[2H] | 3 |
[CH3:1][NH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[CH2:17][CH2:16][CH:15]([O:18][C:19](=[O:33])[NH:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2[C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH2:14][CH2:13]1.C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl.[Cl:48][C:49]1[CH:50]=[C:51]([CH:54]=[CH:55][C:56]=1[OH:57])[CH:52]=O>>[Cl:48][C:49]1[CH:50]=[C:51]([CH:54]=[CH:55][C:56]=1[OH:57])[CH2:52][N:2]([CH3:1])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([O:18][C:19](=[O:33])[NH:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2[C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH2:16][CH2:17]1 | 2 |
Cl.ClCCN1CCOCC1.N1=C(C=CC=C1)C1=NN2C(CCCCC2)=C1C1=CC=NC2=CC(=CC=C12)O>N(C)(C)C=O.[H-].[Na+]>N1(CCOCC1)CCOC1=CC=C2C(=CC=NC2=C1)C=1C(=NN2C1CCCCC2)C2=NC=CC=C2 | 3 |
[CH3:1][N:2]([CH3:19])[CH:3]1[CH2:18][CH2:17][C:6]2[O:7][C:8]3[CH:13]=[CH:12][C:11]([C:14](Cl)=[O:15])=[CH:10][C:9]=3[C:5]=2[CH2:4]1.[F:20][C:21]1[CH:27]=[CH:26][C:24]([NH2:25])=[CH:23][CH:22]=1>>[F:20][C:21]1[CH:27]=[CH:26][C:24]([NH:25][C:14]([C:11]2[CH:12]=[CH:13][C:8]3[O:7][C:6]4[CH2:17][CH2:18][CH:3]([N:2]([CH3:19])[CH3:1])[CH2:4][C:5]=4[C:9]=3[CH:10]=2)=[O:15])=[CH:23][CH:22]=1 | 1 |
[CH2:1]1[O:11][C:4]2([CH2:9][CH2:8][C:7](=[O:10])[CH2:6][CH2:5]2)[O:3][CH2:2]1.Br[C:13]1[CH:18]=[CH:17][C:16]2[O:19][CH2:20][O:21][C:15]=2[CH:14]=1>C1COCC1>[O:19]1[C:16]2[CH:17]=[CH:18][C:13]([C:7]3([OH:10])[CH2:6][CH2:5][C:4]4([O:3][CH2:2][CH2:1][O:11]4)[CH2:9][CH2:8]3)=[CH:14][C:15]=2[O:21][CH2:20]1 | 1 |
C(C)OC(=O)C=1C=NN(C1C)C1=CC=C(C=C1)Cl>C1CCCO1.CO[H].[OH-].[K+]>ClC1=CC=C(C=C1)N1N=CC(=C1C)C(=O)O | 3 |
C(C)(C)(C)OC(=O)N1C(C=C(CC1)S(=O)(=O)C(F)(F)F)C.ClC=1SC2=C(N1)C(=CC=C2)C>O1CCOCC1.[F-].[K+].[Cl-].[Li+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C[Sn]([Sn](C)(C)C)(C)C>C(C)(C)(C)OC(=O)N1C(C=C(CC1)C=1SC2=C(N1)C(=CC=C2)C)C | 3 |
NC1(CN(CC12CC2)CC2=CC=CC=C2)C>>Cl.Cl.NC1(CNCC12CC2)C | 5 |
CC=1N=CC(=NC1)N>BrBr.[OH-].[Na+].C(C)(=O)O.O.O.O.C(C)(=O)[O-].[Na+]>BrC=1C(=NC=C(N1)C)N | 3 |
CC1(OC2=C(C=CC(=C2C=C1)[N+](=O)[O-])C#N)C>>NC1=C2C=CC(OC2=C(C=C1)C#N)(C)C | 5 |
C(C=C)(=O)OC(C)(C)C.BrC1=C(C2=C(OCO2)C=C1)COC1=C(C=CC=C1OC)I.ICC1CC(OC1)=O>>BrC1=C(C2=C(OCO2)C=C1)COC1=C(C(=CC=C1OC)C[C@H]1COC(C1)=O)/C=C/C(=O)OC(C)(C)C | 5 |
CI.C1(=CC=CC=C1)C1=NC2=CC=C(C=C2N=C1N[C@@H](C)C1=CC=CC=C1)C(=O)OC>C1CCCO1.[H-].[Na+]>CN(C=1C(=NC2=CC=C(C=C2N1)C(=O)O)C1=CC=CC=C1)[C@@H](C)C1=CC=CC=C1 | 3 |
C(C=C)Br.C(C)(C)(C)OC(NC1=CC=C2CC[C@H](OC2=C1C)C(O[SiH2]C(C)(C)C)(C)C)=O>>C(C)(C)(C)OC(NC1=CC=C2CC[C@H](OC2=C1CCC=C)C(O[SiH2]C(C)(C)C)(C)C)=O | 5 |
[Cl:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[CH:12]1([CH2:15][CH:16]([C:19]2[CH:20]=[N:21][C:22]([CH:25]([F:27])[F:26])=[CH:23][CH:24]=2)[CH2:17][NH2:18])[CH2:14][CH2:13]1>>[Cl:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([NH:18][CH2:17][CH:16]([C:19]1[CH:20]=[N:21][C:22]([CH:25]([F:27])[F:26])=[CH:23][CH:24]=1)[CH2:15][CH:12]1[CH2:13][CH2:14]1)=[O:6] | 1 |
[NH2:1][C:2]1[C:3](=[O:21])[O:4][C:5]2[CH:18]=[C:17]([CH3:19])[C:16]([Cl:20])=[CH:15][C:6]=2[C:7]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[CH3:14].[F:22][C:23]([F:34])([F:33])[C:24]1[CH:25]=[C:26]([N:30]=[C:31]=[O:32])[CH:27]=[CH:28][CH:29]=1>C1C=CC=CC=1>[Cl:20][C:16]1[C:17]([CH3:19])=[CH:18][C:5]2[O:4][C:3](=[O:21])[C:2]([NH:1][C:31]([NH:30][C:26]3[CH:27]=[CH:28][CH:29]=[C:24]([C:23]([F:22])([F:33])[F:34])[CH:25]=3)=[O:32])=[C:7]([C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=3[CH3:14])[C:6]=2[CH:15]=1 | 1 |
[N:1]1([CH2:7][CH2:8][O:9][CH:10]2[CH2:14][CH2:13][NH:12][CH2:11]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.Cl[CH2:16][CH2:17][N:18]1[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1.C(=O)([O-])[O-].[K+].[K+].O.O.[C:32]([OH:37])(=[O:36])[C:33]([OH:35])=[O:34]>C1C=CC=CC=1>[C:32]([OH:37])(=[O:36])[C:33]([OH:35])=[O:34].[C:32]([OH:37])(=[O:36])[C:33]([OH:35])=[O:34].[C:32]([OH:37])(=[O:36])[C:33]([OH:35])=[O:34].[N:18]1([CH2:17][CH2:16][N:12]2[CH2:13][CH2:14][CH:10]([O:9][CH2:8][CH2:7][N:1]3[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]3)[CH2:11]2)[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1 | 1 |
BrC1=CC=C(C=C1)N1CCC(CC1)C(=O)OCC.C(C1=CC=CC=C1)OC1=NC(=CC=C1B1OC(C(O1)(C)C)(C)C)OCC1=CC=CC=C1>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].C(C)(=O)[O-].[K+]>C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=CC=C(C=C1)N1CCC(CC1)C(=O)OCC)OCC1=CC=CC=C1 | 3 |
Cl.O[C@@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)NC.ClC/C=C/C1=CC=C(C=C1)C1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>O[C@@H]1[C@H](N([C@@H]([C@H]([C@@H]1O)O)CO)C\C=C\C1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NC | 3 |
C([O:5][C:6](=[O:52])[C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([CH2:13][CH:14]([NH:28][C:29](=[O:49])[CH2:30][CH:31]2[CH2:36][CH2:35][CH:34]([CH2:37][NH:38][CH2:39][CH2:40][NH:41]C(OC(C)(C)C)=O)[CH2:33][CH2:32]2)[B:15]2[O:23]C3C(C)(C4CC(C3)C4(C)C)[O:16]2)[C:8]=1OC)(C)(C)C.B(Cl)(Cl)Cl>>[NH2:41][CH2:40][CH2:39][NH:38][CH2:37][C@H:34]1[CH2:35][CH2:36][C@H:31]([CH2:30][C:29]([NH:28][C@H:14]2[CH2:13][C:9]3[CH:10]=[CH:11][CH:12]=[C:7]([C:6]([OH:5])=[O:52])[C:8]=3[O:16][B:15]2[OH:23])=[O:49])[CH2:32][CH2:33]1 | 1 |
ClC1=CC=C(C(=O)Cl)C=C1.NC=1C=C(C=O)C=CC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC1=CC=C(C(=O)NC2=CC(=CC=C2)C=O)C=C1 | 3 |
S(=O)(Cl)Cl.N1N=NC2=C1C=CC=C2.OCC1=NOC(=C1)C=1C(=NC=CC1)NC(OC(C)(C)C)=O>>ClCC1=NOC(=C1)C=1C(=NC=CC1)NC(OC(C)(C)C)=O | 5 |
COC1C=CC(C(C2C=CC(OC)=CC=2)[N:10]2[CH2:14][C@@H:13]3[O:15][C:16]4[C:22]([N+:23]([O-:25])=[O:24])=[CH:21][CH:20]=[CH:19][C:17]=4[O:18][C@H:12]3[CH2:11]2)=CC=1.Cl.O.C(Cl)(Cl)[Cl:37]>C(O)=O>[ClH:37].[N+:23]([C:22]1[C:16]2[O:15][C@@H:13]3[C@H:12]([CH2:11][NH:10][CH2:14]3)[O:18][C:17]=2[CH:19]=[CH:20][CH:21]=1)([O-:25])=[O:24] | 1 |
C(OC([NH:8][C@@H:9]([CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)[CH2:10][C@@H:11]1[O:15]C(C)(C)[N:13]([C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[O:19])[C@H:12]1[CH2:28][C:29]1[CH:34]=[CH:33][C:32]([C:35]2[CH:40]=[CH:39][N:38]=[CH:37][CH:36]=2)=[CH:31][CH:30]=1)=O)(C)(C)C.CO.Cl>C1COCC1>[NH2:8][C@@H:9]([CH2:41][C:42]1[CH:43]=[CH:44][CH:45]=[CH:46][CH:47]=1)[CH2:10][C@H:11]([OH:15])[C@@H:12]([NH:13][C:18](=[O:19])[O:20][CH2:21][C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)[CH2:28][C:29]1[CH:30]=[CH:31][C:32]([C:35]2[CH:40]=[CH:39][N:38]=[CH:37][CH:36]=2)=[CH:33][CH:34]=1 | 1 |
F[C@@H]1[C@@H](C1)C(=O)N.ClC1=CC=C2C(=N1)N(C=C2C2=C(C=1N(C=C2)N=CN1)OC)COCC[Si](C)(C)C>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>F[C@@H]1[C@@H](C1)C(=O)NC1=CC=C2C(=N1)N(C=C2C2=C(C=1N(C=C2)N=CN1)OC)COCC[Si](C)(C)C | 3 |
N[C:2]1([CH:26]2[C:31](=[O:32])[N:30]([CH3:33])[C:29](=[O:34])[N:28]([CH3:35])[C:27]2=[O:36])[C:10]2[N:9]=[C:8]3[CH:11]=[CH:12][CH:13]=[CH:14][C:7]3=[N:6][C:5]=2[C:4](=[C:15]2[C:20](=[O:21])[N:19]([CH3:22])[C:18](=[O:23])[N:17]([CH3:24])[C:16]2=[O:25])[NH:3]1.O>S(=O)(=O)(O)O>[CH3:33][N:30]1[C:31](=[O:32])[C:26](=[C:2]2[C:10]3[N:9]=[C:8]4[CH:11]=[CH:12][CH:13]=[CH:14][C:7]4=[N:6][C:5]=3[C:4](=[C:15]3[C:16](=[O:25])[N:17]([CH3:24])[C:18](=[O:23])[N:19]([CH3:22])[C:20]3=[O:21])[NH:3]2)[C:27](=[O:36])[N:28]([CH3:35])[C:29]1=[O:34] | 2 |
NC1=NC(=C(C(=N1)Cl)CC(=O)OCC)Cl.S1C=NC2=C1C=C(C=C2)CN>>NC=1N=C(C2=C(N1)N(C(C2)=O)CC=2C=CC1=C(N=CS1)C2)Cl | 5 |
ClC(=O)OCC1=CC=CC=C1.NCCOC=1N=C2C(=C(C=NC2=CC1)F)CCC12OCC(CC1)(CC2)NC(OC(C)(C)C)=O>>C(C1=CC=CC=C1)OC(=O)NCCOC=1N=C2C(=C(C=NC2=CC1)F)CCC12OCC(CC1)(CC2)NC(OC(C)(C)C)=O | 5 |
IC1=CC=C(C)C=C1.C1(=CC=CC2=CC=CC=C12)B(O)O>O.C1CCCO1.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>CC1=CC=C(C=C1)C1=CC=CC2=CC=CC=C12 | 3 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[C:12]([CH:14]2[CH2:16][CH2:15]2)[CH:11]=[CH:10][C:9]=1[CH2:17][CH:18]([OH:23])[C:19]([CH3:22])([CH3:21])[CH3:20])(C)(C)C.FC(F)(F)C(O)=O.C(=O)([O-])O.[Na+].C(OCC)(=O)C>C(Cl)Cl>[NH2:7][C:8]1[CH:13]=[C:12]([CH:14]2[CH2:15][CH2:16]2)[CH:11]=[CH:10][C:9]=1[CH2:17][CH:18]([OH:23])[C:19]([CH3:21])([CH3:20])[CH3:22] | 2 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:20][OH:21])[CH:5]=[C:6]([F:19])[C:7]=1[O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=1.Cl[C:23]1[CH:33]=[C:27]2[N:28]([CH3:32])[CH2:29][CH2:30][CH2:31][N:26]2[C:25](=[O:34])[N:24]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:5]=[C:6]([F:19])[C:7]=1[O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:17])([F:18])[F:16])[CH:10]=1)[CH2:20][O:21][C:23]1[CH:33]=[C:27]2[N:28]([CH3:32])[CH2:29][CH2:30][CH2:31][N:26]2[C:25](=[O:34])[N:24]=1 | 1 |
O1CCCC=C1.BrC=1C=C2C=NNC2=CC1I>ClCCl.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC=1C=C2C=NN(C2=CC1I)C1OCCCC1 | 3 |
C([O-])(=O)C=CCCCC.[CH2:10]([O:12][C:13](=[O:22])[C:14](=[O:21])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:20])[CH3:19])[CH3:11].[C:23]([O:26][CH3:27])(=[O:25])[CH3:24]>>[CH2:10]([O:12][C:13](=[O:22])[C:14]([CH2:24][C:23]([O:26][CH3:27])=[O:25])([OH:21])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:20])[CH3:11] | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[C:6]([S:10]([N:13]([CH2:15][C:16]2[O:20][CH:19]=[C:18]([C:21](O)=[O:22])[CH:17]=2)[CH3:14])(=[O:12])=[O:11])=[C:5]([CH3:24])[CH:4]=1.C1N=CN(C(N2C=NC=C2)=O)C=1.[CH3:37][N:38]1[CH2:43][CH2:42][CH:41]([CH2:44][N:45]2[CH2:50][CH2:49][NH:48][CH2:47][CH2:46]2)[CH2:40][CH2:39]1>ClCCCl>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[C:6]([S:10]([N:13]([CH3:14])[CH2:15][C:16]2[O:20][CH:19]=[C:18]([C:21]([N:48]3[CH2:47][CH2:46][N:45]([CH2:44][CH:41]4[CH2:42][CH2:43][N:38]([CH3:37])[CH2:39][CH2:40]4)[CH2:50][CH2:49]3)=[O:22])[CH:17]=2)(=[O:12])=[O:11])=[C:5]([CH3:24])[CH:4]=1 | 1 |
C(CC)(=O)Cl.COC=1C=C2C=CC(=CC2=CC1)C(CC)=O.BrC1=C2C=CC(=CC2=CC=C1OC)C(CC)=O>>BrC1=C(C=CC2=CC=CC=C12)OC.COC1=CC2=CC=CC=C2C=C1 | 3 |
FC=1C=C(CBr)C=CC1.N1(CCCC1)CCOC1=CC=C(C=C1)NC(=O)C1CCCCC1>N(C)(C)C=O.[H-].[Na+]>FC=1C=C(CN(C(=O)C2CCCCC2)C2=CC=C(C=C2)OCCN2CCCC2)C=CC1 | 3 |
N(=[N+]=[N-])C(C(=O)OCC)=CC1=CC=2CC3=CC=CC=C3C2C=C1>C1(=CC=CC=C1)C>N1C(=CC2=CC3=C(C=C12)C1=CC=CC=C1C3)C(=O)OCC | 3 |
[CH2:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][C:2]1=O.[NH:12]1[CH2:17][CH:16]([C:18]([NH2:20])=[O:19])[O:15][CH2:14][CH2:13]1.C1(C)C=CC(S(O)(=O)=O)=CC=1>CC(C)=O>[C:1]1(=[O:15])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][CH2:2]1.[NH:12]1[CH2:17][CH:16]([C:18]([NH2:20])=[O:19])[O:15][CH2:14][CH2:13]1 | 1 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12](=[O:17])[CH2:13][C:14](=[O:16])[CH3:15])[CH:5]=[CH:6][C:7]=1[O:8][CH3:9].B(OB=O)=O.[Cl:23][C:24]1[CH:31]=[C:30]([OH:32])[CH:29]=[CH:28][C:25]=1[CH:26]=O.B(OCCCC)(OCCCC)OCCCC.C(N)CCC.Cl.C([O-])(O)=O.[Na+]>C(OCC)(=O)C.[Cl-].[Na+].O>[Cl:23][C:24]1[CH:31]=[C:30]([OH:32])[CH:29]=[CH:28][C:25]=1/[CH:26]=[CH:15]/[C:14](=[O:16])[CH2:13][C:12](=[O:17])/[CH:11]=[CH:10]/[C:4]1[CH:5]=[CH:6][C:7]([O:8][CH3:9])=[C:2]([OH:1])[CH:3]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]#N)=[CH:4][C:3]=1[N+:11]([O-:13])=[O:12].CN(C)C=O.[BH4-].[Na+].Br[CH2:22][CH2:23][O:24][CH2:25]C>O>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH2:9][CH2:25][O:24][CH2:23][CH3:22])=[CH:4][C:3]=1[N+:11]([O-:13])=[O:12] | 1 |
[C:1]([C:3]1[C:8](=[O:9])[N:7]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][C:12]=2[CH3:18])[C:6]([C:19]2[CH:20]=[C:21]([C:25]3[CH:33]=[C:32]4[C:28]([CH:29]=[CH:30][N:31]4C(OC(C)(C)C)=O)=[CH:27][CH:26]=3)[CH:22]=[CH:23][CH:24]=2)=[CH:5][C:4]=1[C:41]([F:44])([F:43])[F:42])#[N:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:18][C:12]1[CH:13]=[C:14]([CH3:17])[CH:15]=[CH:16][C:11]=1[CH2:10][N:7]1[C:6]([C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([C:25]3[CH:33]=[C:32]4[C:28]([CH:29]=[CH:30][NH:31]4)=[CH:27][CH:26]=3)[CH:20]=2)=[CH:5][C:4]([C:41]([F:44])([F:43])[F:42])=[C:3]([C:1]#[N:2])[C:8]1=[O:9] | 2 |
C([NH:8][CH2:9][C:10](=[O:25])[CH2:11][CH2:12][C:13]([O:15][CH2:16][CH2:17][C:18]([O:20]C(C)(C)C)=[O:19])=[O:14])(OC(C)(C)C)=O.[BrH:26]>C(O)(=O)C>[BrH:26].[NH2:8][CH2:9][C:10](=[O:25])[CH2:11][CH2:12][C:13]([O:15][CH2:16][CH2:17][C:18]([OH:20])=[O:19])=[O:14] | 1 |
C(C1=CC=CC=C1)OC(=O)ON1C(CCC1=O)=O.Cl.Cl.N1C=NC=2CNCCC21>O.O1CCOCC1.C(O)([O-])=O.[Na+]>N1C=NC=2CN(CCC21)C(=O)OCC2=CC=CC=C2 | 3 |
Cl.C(C)OC(CCN)=O.ClC1=CC(=C(C=C1)F)[N+](=O)[O-]>>ClC1=CC(=C(C=C1)NCCC(=O)OCC)[N+](=O)[O-] | 5 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.ClC(OCC(C)C)=O.[CH2:28]([CH:35]([C:41]([OH:43])=[O:42])[C@@H:36]([C:38]([OH:40])=[O:39])[NH2:37])[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1>C1COCC1.O>[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]([NH:37][C@H:36]([C:38]([OH:40])=[O:39])[CH:35]([CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)[C:41]([OH:43])=[O:42])=[O:12])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[Cl:1][C:2]1[CH:19]=[CH:18][C:5]2[O:6][C:7]3[CH:17]=[CH:16][CH:15]=[CH:14][C:8]=3[CH2:9][N:10]([C:11](Cl)=[O:12])[C:4]=2[CH:3]=1.[CH3:20][N:21]([CH3:28])[CH:22]1[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1>>[Cl:1][C:2]1[CH:19]=[CH:18][C:5]2[O:6][C:7]3[CH:17]=[CH:16][CH:15]=[CH:14][C:8]=3[CH2:9][N:10]([C:11]([N:25]3[CH2:26][CH2:27][CH:22]([N:21]([CH3:28])[CH3:20])[CH2:23][CH2:24]3)=[O:12])[C:4]=2[CH:3]=1 | 1 |
[Cl-].C[Zn+].ClC1=CC=C(C=N1)CC=1C(=C(C2=C(C(N(CO2)[C@@H]2COCC[C@H]2O)=O)C1)C)C>O.C1CCCO1.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]>O[C@H]1[C@@H](COCC1)N1COC2=C(C1=O)C=C(C(=C2C)C)CC=2C=NC(=CC2)C | 3 |
[NH2:1][C:2]1[N:10]=[C:9]2[C:5]([NH:6][C:7](=[O:32])[N:8]2[C:11]2[CH:16]=[C:15]([O:17][CH2:18][C:19]3[C:24]([O:25][CH3:26])=[CH:23][CH:22]=[C:21]([F:27])[C:20]=3[F:28])[C:14]([O:29][CH3:30])=[CH:13][C:12]=2[Cl:31])=[C:4]([O:33][CH3:34])[N:3]=1.C(N(CC)C(C)C)(C)C.C([O:47][CH2:48][C:49](Cl)=[O:50])(=O)C.Cl>C(OCC)(=O)C>[Cl:31][C:12]1[CH:13]=[C:14]([O:29][CH3:30])[C:15]([O:17][CH2:18][C:19]2[C:24]([O:25][CH3:26])=[CH:23][CH:22]=[C:21]([F:27])[C:20]=2[F:28])=[CH:16][C:11]=1[N:8]1[C:7](=[O:32])[NH:6][C:5]2[C:9]1=[N:10][C:2]([NH:1][C:48](=[O:47])[CH2:49][OH:50])=[N:3][C:4]=2[O:33][CH3:34] | 1 |
[C:1]([NH:5][S:6]([C:9]1[S:10][CH:11]=[CH:12][C:13]=1[C:14](=[O:17])[CH2:15][Cl:16])(=[O:8])=[O:7])([CH3:4])([CH3:3])[CH3:2].C([BH3-])#N.[Na+].[C:22](O)(=[O:24])[CH3:23]>O1CCCC1>[C:1]([NH:5][S:6]([C:9]1[S:10][CH:11]=[CH:12][C:13]=1[CH:14]([O:17][C:22](=[O:24])[CH3:23])[CH2:15][Cl:16])(=[O:8])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
[F:1][C:2]1([F:40])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C:17]4[CH:18]=[C:19]5[C:23](=[CH:24][C:25]=4[F:26])[N:22]([CH2:27][C@@H:28]4[CH2:32][O:31]C(C)(C)[O:29]4)[C:21]([C:35]([CH3:39])([CH3:38])[CH2:36][OH:37])=[CH:20]5)=[O:15])[CH2:13][CH2:12]3)=[CH:10][C:4]=2[O:3]1.O.CC1C=CC(S(O)(=O)=O)=CC=1.O>CO>[F:40][C:2]1([F:1])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C:17]4[CH:18]=[C:19]5[C:23](=[CH:24][C:25]=4[F:26])[N:22]([CH2:27][C@@H:28]([OH:29])[CH2:32][OH:31])[C:21]([C:35]([CH3:38])([CH3:39])[CH2:36][OH:37])=[CH:20]5)=[O:15])[CH2:12][CH2:13]3)=[CH:10][C:4]=2[O:3]1 | 1 |
C(C1=CC=CC=C1)OC1=CC=C2C(=CC=NC2=C1)OC1=C(C=C(C=C1)N(C(=O)C1(CC1)C(=O)N)C1=CC=C(C=C1)F)F>>FC=1C=C(C=CC1OC1=CC=NC2=CC(=CC=C12)O)N(C(=O)C1(CC1)C(=O)N)C1=CC=C(C=C1)F | 5 |
FC1=C(C=C(C=C1)F)C>S(O)(O)(=O)=O.[N+](=O)([O-])[O-].[K+]>FC1=C(C=C(C(=C1)[N+](=O)[O-])F)C | 3 |
O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)F)=O)=O.Cl.N1(CCNCC1)CCCN1CCC(CC1)N1C[C@H]2N(C=3C(=NN=C(C3)C3=C(C=CC=C3)O)NC2)CC1>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCN(CC1)CCCN1CCC(CC1)N1C[C@H]2N(C=3C(=NN=C(C3)C3=C(C=CC=C3)O)NC2)CC1)=O)=O | 3 |
Cl.BrC=1C=CC(=NC1)OCC1CCNCC1>N(C)(C)C=O.O.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>BrC=1C=CC(=NC1)OCC1CCN(CC1)C(C(CC)(F)F)=O | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[OH:8].Br[CH2:10][CH2:11][C:12]([OH:14])=[O:13].[OH-].[Na+].Cl>O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[O:8][CH2:10][CH2:11][C:12]([OH:14])=[O:13] | 1 |
ClC=1SC=C(N1)C(=O)OCC>[OH-].[K+].C(C)O.O>ClC=1SC=C(N1)C(=O)O | 3 |
C(C)OC(CC=1C(=NC=NC1)C#CC1=NC(=NC=C1C(F)(F)F)NC1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C)=O>>C(C)OC(CC=1C(=NC=NC1)CCC1=NC(=NC=C1C(F)(F)F)NC1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C)=O | 5 |
[Si](C)(C)(C(C)(C)C)OC1CCC(CC1)(F)CCC1N2C(C3=CC=CC=C13)=CN=C2>C1CCCO1.F.N1=CC=CC=C1.C(O)([O-])=O.[Na+]>C=1N=CN2C1C1=CC=CC=C1C2CCC2(CCC(CC2)O)F | 3 |
[Br:1][C:2]1[NH:3][C:4]([Br:8])=[C:5]([Br:7])[N:6]=1.[H-].[Na+].[CH3:11][Si:12]([CH2:15][CH2:16][O:17][CH2:18]Cl)([CH3:14])[CH3:13]>CN(C=O)C>[Br:1][C:2]1[N:3]([CH2:18][O:17][CH2:16][CH2:15][Si:12]([CH3:14])([CH3:13])[CH3:11])[C:4]([Br:8])=[C:5]([Br:7])[N:6]=1 | 1 |
COC[O:4][C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][C:12]=1[N:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1)[CH:8]=[O:9].Cl.C(=O)([O-])O.[Na+]>CO>[OH:4][C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][C:12]=1[N:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1)[CH:8]=[O:9] | 1 |
[NH:1](C(OC(C)(C)C)=O)[C@H:2]([C:11]([NH:13][C@@H:14]([C:20]([NH:22][CH2:23][C:24]([N:26]([CH2:43][CH3:44])[C@H:27]([C:35]([NH:37][NH:38][C:39]([CH2:41][CH3:42])=[O:40])=[O:36])[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:25])=[O:21])[CH2:15][CH2:16][S:17]([CH3:19])=[O:18])=[O:12])[CH2:3][C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.C1(OC)C=CC=CC=1.C(O)(C(F)(F)F)=O.N[C@H](C(O)=O)CCSC.N[C@H](C(O)=O)CC1C=CC(O)=CC=1>>[NH2:1][C@H:2]([C:11]([NH:13][C@@H:14]([C:20]([NH:22][CH2:23][C:24]([N:26]([CH2:43][CH3:44])[C@H:27]([C:35]([NH:37][NH:38][C:39]([CH2:41][CH3:42])=[O:40])=[O:36])[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:25])=[O:21])[CH2:15][CH2:16][S:17]([CH3:19])=[O:18])=[O:12])[CH2:3][C:4]1[CH:5]=[CH:6][C:7]([OH:10])=[CH:8][CH:9]=1 | 1 |
CCOC(=O)OC(=O)OCC.ClC1=CC=C(C=C1)S(=O)(=O)N(C(C(=O)O)=C)CC.FC(C1=CC=C(C=C1)C1=NC(=CC(=C1)CN)C1=CC=C(C=C1)C(F)(F)F)(F)F>>FC(C1=CC=C(C=C1)C1=NC(=CC(=C1)CNC(C(=C)N(CC)S(=O)(=O)C1=CC=C(C=C1)Cl)=O)C1=CC=C(C=C1)C(F)(F)F)(F)F | 5 |
[CH2:1](Br)[CH:2]=[CH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.C[Si](C)(C)[N-:13][Si](C)(C)C.[Na+].[C:21]([O:24]CC)(=[O:23])[CH3:22]>C1COCC1.C(Cl)Cl.C(O)(C(F)(F)F)=O>[NH2:13][C@H:22]([CH2:1][CH2:2][CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)[C:21]([OH:24])=[O:23] | 1 |
CC1CCN(CC1)CCN.ClC1=C(C=CC(=C1)F)NC(=O)[C@@H]1CC[C@H](CC1)NC(=O)C1=C(N=CN1)C(=O)OC1=CC=CC=C1>C1CCCO1>ClC1=C(C=CC(=C1)F)NC(=O)[C@@H]1CC[C@H](CC1)N(C(=O)C=1N=CNC1C(=O)N)CCN1CCC(CC1)C | 3 |
C(C)(=O)C1=CC=CC=C1.C1(CC1)C(=O)N1CC2=C(CC1)SC(=C2)C=2C=C(C(=C(C=O)C2)O)OC>O.CCO[H].[OH-].[K+]>C1(CC1)C(=O)N1CC2=C(CC1)SC(=C2)C=2C=C(C(=C(C2)/C=C/C(=O)C2=CC=CC=C2)O)OC | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([C:10]([NH2:12])=[O:11])=[C:7]([NH:13][C:14](=[O:17])[CH2:15][Cl:16])[C:6]=2[CH:18]=1.NC1C2C=C([Cl:29])C=CC=2OC=1C(N)=O.BrC1C=CC2OC(C(=O)N)=C(NC(C3CCCN3C(OC(C)(C)C)=O)=O)C=2C=1>>[Cl:29][C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([C:10]([NH2:12])=[O:11])=[C:7]([NH:13][C:14](=[O:17])[CH2:15][Cl:16])[C:6]=2[CH:18]=1 | 2 |
OC1=CC=C(C=O)C=C1.ClCC=1N(C2=CC=CC=C2C(N1)=O)C>C([O-])([O-])=O.[K+].[K+]>CN1C(=NC(C2=CC=CC=C12)=O)COC1=CC=C(C=O)C=C1 | 3 |
C[Si](C)(C)Cl.C(C1=CC=CC=C1)N1C([C@@H](NC12CCN(CC2)C(C2=CC(=CC=C2)OC)=O)CC2=CC=CC=C2)=O>>Cl.C(C1=CC=CC=C1)N1C([C@@H](NC12CCN(CC2)C(C2=CC(=CC=C2)OC)=O)CC2=CC=CC=C2)=O | 5 |
OC1(CCN(CC1)C(CC(C)C1=CC=CC=C1)=O)CN1C=NC2=CC(=CC=C2C1=O)[N+](=O)[O-]>[Fe].CCO[H].[Cl-].[NH4+]>NC1=CC=C2C(N(C=NC2=C1)CC1(CCN(CC1)C(CC(C)C1=CC=CC=C1)=O)O)=O | 3 |
I[C:2]1[N:3]=[CH:4][N:5]2[CH2:10][CH2:9][N:8]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:7][C:6]=12.[F:18][C:19]1[CH:24]=[CH:23][C:22](B(O)O)=[CH:21][CH:20]=1.C([O-])([O-])=O.[K+].[K+]>O1CCOCC1.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>[F:18][C:19]1[CH:24]=[CH:23][C:22]([C:2]2[N:3]=[CH:4][N:5]3[CH2:10][CH2:9][N:8]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:7][C:6]=23)=[CH:21][CH:20]=1 | 2 |
CC(C(=O)OC)C(CC)=O.ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=C(N)C=C1C)C>>ClC=1C(=NC=C(C1)C(F)(F)F)OC=1C(=C2C(=C(C(=NC2=CC1C)CC)C)O)C | 5 |
Cl[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([O:10][CH:11]([CH3:13])[CH3:12])[N:3]=1.[B:14]1([OH:24])[C:18]2[CH:19]=[CH:20][C:21]([OH:23])=[CH:22][C:17]=2[CH2:16][O:15]1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[OH:24][B:14]1[C:18]2[CH:19]=[CH:20][C:21]([O:23][C:2]3[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([O:10][CH:11]([CH3:13])[CH3:12])[N:3]=3)=[CH:22][C:17]=2[CH2:16][O:15]1 | 1 |
[Br:1]N1C(=O)CCC1=O.[CH2:9]([O:11][C:12]1[C:13]([OH:20])=[C:14]([CH:17]=[CH:18][CH:19]=1)[CH:15]=[O:16])[CH3:10]>C(#N)C>[Br:1][C:18]1[CH:19]=[C:12]([O:11][CH2:9][CH3:10])[C:13]([OH:20])=[C:14]([CH:17]=1)[CH:15]=[O:16] | 1 |
[C-]#N.[Zn+2].[C-]#N.OC=1C=C2C(=NN(C2=CC1)CC(=O)OC(C)(C)C)I>N(C)(C)C=O.O.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.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(#N)C1=NN(C2=CC=C(C=C12)O)CC(=O)OC(C)(C)C | 3 |
C1(=CC=CC=C1)C1=CC(=C(O1)C(=O)OCC)NC(=O)N>CO[H].[OH-].[Na+]>C1(=CC=CC=C1)C1=CC=2N=C(N=C(C2O1)O)O | 3 |
[C:1]([C:5]1[O:6][C:7]([CH3:14])=[C:8]([C:10]([O:12]C)=[O:11])[N:9]=1)([CH3:4])([CH3:3])[CH3:2].O.[OH-].[Li+].Cl>C1COCC1.O>[C:1]([C:5]1[O:6][C:7]([CH3:14])=[C:8]([C:10]([OH:12])=[O:11])[N:9]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C1=CC=CC=C1)O.BrC=1C=NC=C(C1)Br>[Na].[Cu]>BrC=1C=C(C=NC1)OCC1=CC=CC=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[CH:6]=[CH:5][C:4]=1[C:10]1([CH3:26])[NH:14][C:13](=[O:15])[N:12]([CH2:16][C:17](=[O:24])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:11]1=[O:25].[CH3:27]I>>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[CH:6]=[CH:5][C:4]=1[C:10]1([CH3:26])[N:14]([CH3:27])[C:13](=[O:15])[N:12]([CH2:16][C:17](=[O:24])[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[C:11]1=[O:25] | 2 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:8]2[S:12][C:11]([C:13]3[CH:14]=[C:15]4[C:19](=[CH:20][CH:21]=3)[C:18](=[O:22])[N:17]([CH3:23])[CH2:16]4)=[CH:10][CH:9]=2)[CH:5]=[N:6][CH:7]=1.[Br:24][C:25]1[CH:26]=[C:27]([S:31](Cl)(=[O:33])=[O:32])[CH:28]=[CH:29][CH:30]=1>>[Br:24][C:25]1[CH:26]=[C:27]([S:31]([NH:1][C:2]2[CH:7]=[N:6][CH:5]=[C:4]([C:8]3[S:12][C:11]([C:13]4[CH:14]=[C:15]5[C:19](=[CH:20][CH:21]=4)[C:18](=[O:22])[N:17]([CH3:23])[CH2:16]5)=[CH:10][CH:9]=3)[CH:3]=2)(=[O:33])=[O:32])[CH:28]=[CH:29][CH:30]=1 | 2 |
[Cl:1][C:2]1[CH:14]=[CH:13][CH:12]=[CH:11][C:3]=1[CH:4]=[C:5]([C:9]#[N:10])C(O)=O.C(=O)=O>[Cu]>[Cl:1][C:2]1[CH:14]=[CH:13][CH:12]=[CH:11][C:3]=1/[CH:4]=[CH:5]\[C:9]#[N:10] | 1 |
COC1=C(OC=2C(=NC=C(C2)C(F)(F)F)C(=O)O)C=CC(=C1)OC(F)(F)F>N(C)(C)C=O.CO[H].ClCCl.C(C)(=O)OCC.C(C(=O)Cl)(=O)Cl>COC1=C(OC=2C(=NC=C(C2)C(F)(F)F)C(=O)OC)C=CC(=C1)OC(F)(F)F | 3 |
[F:1][C:2]1[C:15]2[O:14][C:13]3[C:8](=[CH:9][C:10]([C:16]4[C:17]([F:22])=[N:18][CH:19]=[CH:20][CH:21]=4)=[CH:11][CH:12]=3)[C:7]3([CH2:27][CH2:26][O:25][C:24]([NH2:28])=[N:23]3)[C:6]=2[CH:5]=[C:4]([O:29]C)[CH:3]=1.C(Cl)Cl>>[NH2:28][C:24]1[O:25][CH2:26][CH2:27][C:7]2([N:23]=1)[C:6]1[CH:5]=[C:4]([OH:29])[CH:3]=[C:2]([F:1])[C:15]=1[O:14][C:13]1[C:8]2=[CH:9][C:10]([C:16]2[C:17]([F:22])=[N:18][CH:19]=[CH:20][CH:21]=2)=[CH:11][CH:12]=1 | 1 |
C(C)(C)(C)[Si](OC1=CC(=C(C#N)C=C1)F)(C1=CC=CC=C1)C1=CC=CC=C1>>C(C)(C)(C)[Si](OC1=CC(=C(CN)C=C1)F)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
C(C)(C)(C)NC(=O)C1=C(C=C(S1)C=1C=C(C(=O)O)C=CC1C)C=O>C(C)(=O)O.NN>CC1=C(C=C(C(=O)O)C=C1)C1=CC2=C(C(NN=C2)=O)S1 | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.NC=1SC=C(N1)C(C(=O)OCC)=NOCC>N(C)(C)C=O.ClCCl.CCN(CC)CC.Cl>C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)NC=1SC=C(N1)C(C(=O)OCC)=NOCC | 3 |
FC1=C(CC2=NN3C(=NC(=CC3=N2)C2=CC=C(C=C2)F)N)C(=CC=C1)F>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC=1C=2N(C(=NC1C1=CC=C(C=C1)F)N)N=C(N2)CC2=C(C=CC=C2F)F | 3 |
ClC1=NC=2CCCCC2C(=N1)Cl.N1C[C@H](CC1)NC(C)=O>>ClC1=NC=2CCCCC2C(=N1)N1C[C@H](CC1)NC(C)=O | 5 |
C(C1=CC=CC=C1)OC(CBr)=O.BrC1=CC(=C(C(=O)N[C@H](C(=O)OCC2=CC=CC=C2)CC(=O)OCC2=CC=CC=C2)C=C1)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C1=CC=CC=C1)OC(COC1=C(C(=O)N[C@H](C(=O)OCC2=CC=CC=C2)CC(=O)OCC2=CC=CC=C2)C=CC(=C1)Br)=O | 3 |
[S:1]1[CH:5]=[CH:4][N:3]=[C:2]1[NH:6][C:7]([C:9]1[C:17]2[N:16]=[C:15]([C:18]3[CH:19]=[CH:20][C:21]([N:24]4[CH2:29][CH2:28][N:27](C(OC(C)(C)C)=O)[CH2:26][CH2:25]4)=[N:22][CH:23]=3)[NH:14][C:13]=2[CH:12]=[CH:11][CH:10]=1)=[O:8].[ClH:37]>>[ClH:37].[N:24]1([C:21]2[N:22]=[CH:23][C:18]([C:15]3[NH:14][C:13]4[CH:12]=[CH:11][CH:10]=[C:9]([C:7]([NH:6][C:2]5[S:1][CH:5]=[CH:4][N:3]=5)=[O:8])[C:17]=4[N:16]=3)=[CH:19][CH:20]=2)[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1 | 1 |
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