smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(N(C(C)C)CC)(C)C.C1(S(C=C)(=O)=O)C=CC=CC=1.[NH2:21][C@@H:22]([CH2:24][OH:25])[CH3:23].Cl[C:27]1[C:28]2[S:45][C:44](=[O:46])[N:43]([CH2:47][CH2:48][S:49]([C:52]3[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=3)(=[O:51])=[O:50])[C:29]=2[N:30]=[C:31]([S:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[C:36]=2[F:42])[N:32]=1>C(#N)CCC.O>[F:42][C:36]1[C:37]([F:41])=[CH:38][CH:39]=[CH:40][C:35]=1[CH2:34][S:33][C:31]1[N:32]=[C:27]([NH:21][C@H:22]([CH3:23])[CH2:24][OH:25])[C:28]2[S:45][C:44](=[O:46])[N:43]([CH2:47][CH2:48][S:49]([C:52]3[CH:53]=[CH:54][CH:55]=[CH:56][CH:57]=3)(=[O:50])=[O:51])[C:29]=2[N:30]=1 | 1 |
C=1C=CC2=C(C1)C=3C=CC=NC3N2>O(O[H])[H].C(C)(=O)O>[N+]=1(C=CC=C2C1NC1=CC=CC=C21)[O-] | 3 |
[CH2:1]([N:3]([CH2:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=1)[C:4](=[O:26])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][S:15][C:16]2[CH:25]=[CH:24][CH:23]=[CH:22][C:17]=2[C:18]([O:20]C)=[O:19])=[CH:9][CH:8]=1)[CH3:2].[OH-].[Li+]>C(#N)C.O>[CH2:1]([N:3]([CH2:27][C:28]1[CH:29]=[CH:30][C:31]([C:34]([F:36])([F:35])[F:37])=[CH:32][CH:33]=1)[C:4](=[O:26])[CH2:5][O:6][C:7]1[CH:8]=[CH:9][C:10]([CH2:13][CH2:14][S:15][C:16]2[CH:25]=[CH:24][CH:23]=[CH:22][C:17]=2[C:18]([OH:20])=[O:19])=[CH:11][CH:12]=1)[CH3:2] | 1 |
ClC1=NC=NC(=N1)Cl.NC=1C=C(CS(=O)(C)=NC(OCC)=O)C=CC1>C1CCCO1.C(C)(C)N(C(C)C)CC.CC(C)O>ClC1=NC(=NC=N1)NC=1C=C(CS(=O)(C)=NC(OCC)=O)C=CC1 | 3 |
C1CN(CCC12CCC(CC2)C(=O)OC)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>C1CNCCC12CCC(CC2)C(=O)OC | 3 |
C(C)(=O)NC1CCNCC1.ClC=1C=C(C=CC1Cl)C1CN(CCOC1CI)C(=O)OC(C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(=O)NC1CCN(CC1)CC1C(CN(CCO1)C(=O)OC(C)(C)C)C1=CC(=C(C=C1)Cl)Cl | 3 |
C(C)OC=1C(=C(C=CC1)B(O)O)F>O(O[H])[H].C1CCCO1.C(C)(=O)O>C(C)OC=1C(=C(C=CC1)O)F | 3 |
NC1=NNC=C1.C(#N)CC(CC1CCN(CC1)C(=O)OC(C)(C)C)=O>>NC1=CC(=NC=2N1N=CC2)CC2CCN(CC2)C(=O)OC(C)(C)C | 5 |
Cl.C(C)(C)(C)C=1C=C(C(=C(C1)NC(NC1=CC=C(C2=CC=CC=C12)OC1=CC(=NC=C1)NC1=CC(=C(C(=O)O)C=C1)OC)=O)OC)NS(=O)(=O)C.C1(CC1)N1CCN(CC1)CCN>>C(C)(C)(C)C=1C=C(C(=C(C1)NC(NC1=CC=C(C2=CC=CC=C12)OC1=CC(=NC=C1)NC1=CC(=C(C(=O)NCCN2CCN(CC2)C2CC2)C=C1)OC)=O)OC)NS(=O)(=O)C | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH:9]([N:22]([CH3:33])[C:23](=[O:32])[O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:10]2[N:11]([CH3:21])[C:12]([CH2:15][C:16]([CH3:20])([CH3:19])[CH2:17][CH3:18])=[CH:13][N:14]=2)=[CH:4][CH:3]=1.Br[C:35]1[CH:40]=[CH:39][C:38]([F:41])=[CH:37][N:36]=1.C[Sn](C)C.C[Sn](C)C>O1CCOCC1.O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Pd]>[CH3:19][C:16]([CH3:20])([CH2:17][CH3:18])[CH2:15][C:12]1[N:11]([CH3:21])[C:10]([CH:9]([N:22]([CH3:33])[C:23](=[O:32])[O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH2:8][C:5]2[CH:6]=[CH:7][C:2]([C:35]3[CH:40]=[CH:39][C:38]([F:41])=[CH:37][N:36]=3)=[CH:3][CH:4]=2)=[N:14][CH:13]=1 | 1 |
C(C)(C)(C)SC1=NC(=CC=C1)Cl>>ClC1=CC=CC(=N1)S | 5 |
C1(CC1)S(=O)[O-].[Na+].BrC=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC=CC=C2>>C1(CC1)S(=O)(=O)C=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC=CC=C2 | 5 |
CI.CC(C)(OC(=O)N[C@@H](CNC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)C(=O)O)C>N(C)(C)C=O.C([O-])(O)=O.[K+]>CC(C)(OC(=O)N[C@@H](CNC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)C(=O)OC)C | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]([I:11])=[CH:7][C:3]=1[C:4](O)=[O:5].C(Cl)(=O)C([Cl:15])=O>CN(C=O)C.C(Cl)Cl>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]([I:11])=[CH:7][C:3]=1[C:4]([Cl:15])=[O:5] | 1 |
[CH2:1]([O:3][CH2:4][C:5]1[N:6]([CH2:19][C:20]2[CH:25]=[CH:24][C:23]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:32]3[NH:36][N:35]=[N:34][N:33]=3)=[CH:22][CH:21]=2)[C:7]([C:14]([O:16]CC)=[O:15])=[C:8]([C:10]([OH:13])([CH3:12])[CH3:11])[N:9]=1)[CH3:2].[OH-].[Na+]>>[CH2:1]([O:3][CH2:4][C:5]1[N:6]([CH2:19][C:20]2[CH:25]=[CH:24][C:23]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:32]3[NH:36][N:35]=[N:34][N:33]=3)=[CH:22][CH:21]=2)[C:7]([C:14]([OH:16])=[O:15])=[C:8]([C:10]([OH:13])([CH3:12])[CH3:11])[N:9]=1)[CH3:2] | 1 |
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([Cl:10])=[C:6]([N+:11]([O-])=O)[CH:5]=1)=[O:3].O.O.[Sn](Cl)(Cl)(Cl)Cl.[OH-].[NH4+]>Cl.O>[C:2]([C:4]1[CH:9]=[CH:8][C:7]([Cl:10])=[C:6]([NH:11][C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=2)[CH:5]=1)(=[O:3])[CH3:1] | 1 |
ClC(=O)OCC1=CC=CC=C1.C1(CC1)C1=C(CCNC(OC(C)(C)C)=O)C=CC(=C1)N1CCNCC1>ClCCl.CCN(CC)CC>C(C)(C)(C)OC(=O)NCCC1=C(C=C(C=C1)N1CCN(CC1)C(=O)OCC1=CC=CC=C1)C1CC1 | 3 |
[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH:9]=[CH2:10])=[N:7][CH:8]=1)[CH3:2].BrN1C(=[O:17])CCC1=O.[K].[OH:20][C:21]1[CH:28]=[CH:27][C:24]([CH:25]=[O:26])=[CH:23][CH:22]=1>C(O)(C)(C)C>[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH:9]([OH:17])[CH2:10][O:20][C:21]2[CH:28]=[CH:27][C:24]([CH:25]=[O:26])=[CH:23][CH:22]=2)=[N:7][CH:8]=1)[CH3:2] | 1 |
[NH2:1][C@@H:2]([C:10]([OH:12])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.O.[C:14]1([CH3:24])[CH:19]=[CH:18][C:17]([S:20]([OH:23])(=[O:22])=[O:21])=[CH:16][CH:15]=1>C(O)C>[C:14]1([CH3:24])[CH:15]=[CH:16][C:17]([S:20]([OH:23])(=[O:21])=[O:22])=[CH:18][CH:19]=1.[CH2:14]([O:11][C:10](=[O:12])[C@@H:2]([CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)[NH2:1])[CH3:15] | 1 |
Cl.[NH2:2][CH:3]1[CH:12]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[C:16](Cl)[CH:15]=2)[C:11]2[CH:10]=[C:9]([O:22][CH2:23][CH2:24][NH:25][S:26]([CH3:29])(=[O:28])=[O:27])[CH:8]=[CH:7][C:6]=2[CH2:5][CH2:4]1.O.NN.O.C(Cl)Cl>C(O)C.[Pd]>[ClH:20].[NH2:2][CH:3]1[CH:12]([CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:11]2[CH:10]=[C:9]([O:22][CH2:23][CH2:24][NH:25][S:26]([CH3:29])(=[O:28])=[O:27])[CH:8]=[CH:7][C:6]=2[CH2:5][CH2:4]1 | 1 |
Br[C:2]1[CH:14]=[CH:13][C:5]2[S:6][C:7]([C:9]([O:11][CH3:12])=[O:10])=[CH:8][C:4]=2[CH:3]=1.[S:15]1[CH:19]=[CH:18][CH:17]=[C:16]1B(O)O.[Cl-].[Li+].C(=O)([O-])[O-].[Na+].[Na+]>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.O.O1CCOCC1>[S:15]1[CH:19]=[CH:18][CH:17]=[C:16]1[C:2]1[CH:14]=[CH:13][C:5]2[S:6][C:7]([C:9]([O:11][CH3:12])=[O:10])=[CH:8][C:4]=2[CH:3]=1 | 2 |
C(O[C:4](=[O:23])[CH:5]=[C:6](/[N:8]=[C:9]1/[N:10]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=2[CH3:22])[CH2:11][CH2:12][CH2:13]/1)[CH3:7])C.CC([O-])(C)C.[K+].C1COCC1>>[CH3:7][C:6]1[NH:8][C:9]2[N:10]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=3[CH3:22])[CH2:11][CH2:12][C:13]=2[C:4](=[O:23])[CH:5]=1 | 2 |
CI.C(C)(C)(C)[Si](OC1CCC2=C(C=CC=C12)C(C(F)F)O)(C)C>>C(C)(C)(C)[Si](C)(C)OC1CCC2=C(C=CC=C12)C(C(F)F)OC | 5 |
COC([C@@H](C)OCC1=CC=CC=C1)OC>>COC([C@@H](C)O)OC | 5 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10](=[O:18])[CH2:11][CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:6][CH:5]=1)([O-])=O>[Pd].C(O)C>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([C:10](=[O:18])[CH2:11][CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:8][CH:9]=1 | 1 |
C(CC)(=O)Cl.Cl.ClC=1C=CC2=C(NC=3N(N=CC3CN2C(=O)C2=C(C=C(CNC(CCC3CCNCC3)=O)C=C2)C)C)C1>>ClC=1C=CC2=C(NC=3N(N=CC3CN2C(=O)C2=C(C=C(CNC(CCC3CCN(CC3)C(CC)=O)=O)C=C2)C)C)C1 | 5 |
CC1(C)COC([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[C:13]2[CH:18]=[CH:17][C:16]([CH2:19][OH:20])=[CH:15][CH:14]=2)=N1.Cl>C(O)C>[OH:20][CH2:19][C:16]1[CH:17]=[CH:18][C:13]([C:8]2[CH:7]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:14][CH:15]=1 | 1 |
[CH2:1]([O:3][C:4]1[CH:9]=[C:8]([N+:10]([O-])=O)[CH:7]=[CH:6][C:5]=1[N:13]1[CH2:18][CH2:17][CH2:16][CH2:15][C:14]1=[O:19])[CH3:2].[H][H]>C1COCC1.[Pd]>[NH2:10][C:8]1[CH:7]=[CH:6][C:5]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][C:14]2=[O:19])=[C:4]([O:3][CH2:1][CH3:2])[CH:9]=1 | 1 |
C(O[C:6]([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[CH:13]([OH:15])[CH3:14])=O)(C)(C)C.C(O)(C(F)(F)F)=O.[N+:23]([C:26]1[CH:33]=[CH:32][C:29](CBr)=[CH:28][CH:27]=1)([O-:25])=[O:24].C([O-])([O-])=O.[K+].[K+]>C(Cl)Cl>[N+:23]([C:26]1[CH:33]=[CH:32][C:29]([CH2:6][N:8]2[CH2:12][CH2:11][CH2:10][CH:9]2[CH:13]([OH:15])[CH3:14])=[CH:28][CH:27]=1)([O-:25])=[O:24] | 1 |
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[N:10]1[C:19](=[O:20])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[N:12]=[C:11]1[CH:21]([N:23]1[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]1)[CH3:22])[CH3:2].[N+:29](C1C=C(N)C(=CC=1)C(O)=O)([O-:31])=[O:30]>>[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[N:10]1[C:19](=[O:20])[C:18]2[C:13](=[CH:14][C:15]([N+:29]([O-:31])=[O:30])=[CH:16][CH:17]=2)[N:12]=[C:11]1[CH:21]([N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1)[CH3:22])[CH3:2] | 2 |
N1=CN=CC(=C1)B(O)O.BrC1=CC=2C3(C4=CC(=CC=C4OC2C=C1)OC)N=C(OC3C)N>O.C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC1=CC=2[C@@]3(C4=CC(=CC=C4OC2C=C1)C=1C=NC=NC1)N=C(O[C@H]3C)N | 3 |
[C:1]([C:3]1[CH:4]=[C:5]([NH2:10])[C:6]([NH2:9])=[CH:7][CH:8]=1)#[N:2].[S:11]1[CH:15]=[CH:14][CH:13]=[C:12]1[C:16](=O)[C:17](O)=[O:18]>>[C:1]([C:3]1[CH:4]=[C:5]2[C:6](=[CH:7][CH:8]=1)[NH:9][C:17](=[O:18])[C:16]([C:12]1[S:11][CH:15]=[CH:14][CH:13]=1)=[N:10]2)#[N:2] | 1 |
C(C1=CC=CC=C1)OCC1=NNC(N1CC)=O.BrC=1C=C2C(=CC(=NC2=CC1F)O)C(C(F)(F)F)C>[Cu]I.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CN[C@H]1[C@@H](CCCC1)NC>C(C1=CC=CC=C1)OCC1=NN(C(N1CC)=O)C=1C=C2C(=CC(=NC2=CC1F)O)C(C(F)(F)F)C | 3 |
[Br:1][CH2:2][CH2:3]Br.[Cl:5][C:6]1[CH:25]=[CH:24][C:9]([NH:10][C:11]2[C:20]3[C:15](=[CH:16][C:17]([OH:23])=[C:18]([O:21][CH3:22])[CH:19]=3)[N:14]=[CH:13][N:12]=2)=[C:8]([F:26])[CH:7]=1.C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C>[Br:1][CH2:2][CH2:3][O:23][C:17]1[CH:16]=[C:15]2[C:20]([C:11]([NH:10][C:9]3[CH:24]=[CH:25][C:6]([Cl:5])=[CH:7][C:8]=3[F:26])=[N:12][CH:13]=[N:14]2)=[CH:19][C:18]=1[O:21][CH3:22] | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1/[CH:11]=[CH:12]/[N+:13]([O-:15])=[O:14].[CH2:16]([O:18][C:19]([P:24]([O:27][CH2:28][CH3:29])([CH3:26])=[O:25])([O:21][CH2:22][CH3:23])[CH3:20])[CH3:17].C(=O)=O.CC(C)=O.C([Li])CCC.CCCCCC>O1CCCC1>[CH2:22]([O:21][C:19]([P:24]([CH2:26][CH:11]([C:3]1[CH:4]=[C:5]([N+:8]([O-:10])=[O:9])[CH:6]=[CH:7][C:2]=1[CH3:1])[CH2:12][N+:13]([O-:15])=[O:14])([O:27][CH2:28][CH3:29])=[O:25])([O:18][CH2:16][CH3:17])[CH3:20])[CH3:23] | 1 |
NC=1C(=CC(=NC1)NC1=NC=C(N=C1)C#N)NCC1CCN(CC1)C(=O)OC(C)(C)C>>C(#N)C=1N=CC(=NC1)NC1=CC(=C(C=N1)NS(=O)(=O)CC)NCC1CCN(CC1)C(=O)OC(C)(C)C | 5 |
CC1(C)CCCC(C)(C)N1.[Li]CCCC.[Br:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][C:18]=1[CH3:27].CN([CH:31]=[O:32])C>C1COCC1>[Br:16][C:17]1[C:18]([CH3:27])=[CH:19][C:20]([C:23]([F:24])([F:25])[F:26])=[CH:21][C:22]=1[CH:31]=[O:32] | 1 |
CO[C:3](=[O:18])[CH2:4][CH:5]([C:10]1[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=1[F:17])[CH2:6][N+:7]([O-:9])=[O:8].[CH2:19]=O.[CH2:21]([NH2:28])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>CCO>[CH2:21]([N:28]1[CH2:19][C@@H:6]([N+:7]([O-:9])=[O:8])[C@H:5]([C:10]2[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=2[F:17])[CH2:4][C:3]1=[O:18])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 2 |
[C:1](Cl)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:10]1[CH:15]=[CH:14][C:13]([C:16]2[C:24]3[C:19](=[CH:20][CH:21]=[C:22]([NH:25][C:26]([CH:28]4[CH2:33][CH2:32][CH2:31][NH:30][CH2:29]4)=[O:27])[CH:23]=3)[NH:18][N:17]=2)=[CH:12][CH:11]=1>ClCCl>[C:1]([N:30]1[CH2:31][CH2:32][CH2:33][CH:28]([C:26]([NH:25][C:22]2[CH:23]=[C:24]3[C:19](=[CH:20][CH:21]=2)[NH:18][N:17]=[C:16]3[C:13]2[CH:12]=[CH:11][N:10]=[CH:15][CH:14]=2)=[O:27])[CH2:29]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C1C2C=CC3C=CC=CC=3C(=O)C=2C=CC=1C(C)C#N.Cl.[CH:22]1[C:32]2[CH:31]=[CH:30][C:29]3[CH:33]=[CH:34][CH:35]=[CH:36][C:28]=3[C:27](=[O:37])[C:26]=2[CH:25]=[CH:24][C:23]=1[CH:38](C)[C:39]([OH:41])=[O:40].C1C2C=CC3C=CC=CC=3C(=O)C=2C=CC=1CC#N>CC(C)=O.CCCCCC.C(Cl)(Cl)Cl.CCCCCC.O.CCOCC.C(O)(=O)C>[CH:22]1[C:32]2[CH:31]=[CH:30][C:29]3[CH:33]=[CH:34][CH:35]=[CH:36][C:28]=3[C:27](=[O:37])[C:26]=2[CH:25]=[CH:24][C:23]=1[CH2:38][C:39]([OH:41])=[O:40] | 1 |
C(C=C)[Mg]Br.ClC1=NC(=C(C(=N1)C(=O)C1=CC=CC=C1)C=C)NC>C1CCCO1>ClC1=NC(=C(C(=N1)C(CC=C)(O)C1=CC=CC=C1)C=C)NC | 3 |
C(C)(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC(=C1)F)F)[N+](=O)[O-])O)OCC(C)(C)C>>C(C)(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC(=C1)F)F)N)O)OCC(C)(C)C | 5 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[NH:12][CH:11]=2)[CH2:4][CH2:3]1.OC1C=CC=CN=1.C[O:27][C:28]([C:30]1[N:31]([CH3:35])[CH:32]=[CH:33][N:34]=1)=O>COC(C1N(C)C=CN=1)=O>[NH:12]1[C:13]2[C:18](=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:10]([CH2:9][CH2:8][N:5]2[CH2:6][CH2:7][CH:2]([NH:1][C:28]([C:30]3[N:31]([CH3:35])[CH:32]=[CH:33][N:34]=3)=[O:27])[CH2:3][CH2:4]2)=[CH:11]1 | 1 |
CS(=O)(=O)C1=CC=C(N)C=C1.ClC=1N=NC(=CC1)OC1CCC(CC1)OC1=NC=C(C=N1)CC>>C(C)C=1C=NC(=NC1)OC1CCC(CC1)OC1=CC=C(N=N1)NC1=CC=C(C=C1)S(=O)(=O)C | 5 |
CN(CCC(=O)C1=CC2=CC=CC=C2C=C1)C>>CN(CCC(O)C1=CC2=CC=CC=C2C=C1)C | 5 |
ClC1=CC2=C(S1)C1(CCN(CC1)CC=1C(=NN(C1)C1=C(C(=O)OC)C=CC=C1F)C)OCC2(F)F>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC1=CC2=C(S1)C1(CCN(CC1)CC=1C(=NN(C1)C1=C(C=CC=C1F)CO)C)OCC2(F)F | 3 |
CN(CCNC)C.FC1=CC=C(C=N1)C1=C(N=C2N1C=CC=C2)C(=O)OCC>>N.CN(CCN(C1=CC=C(C=N1)C1=C(N=C2N1C=CC=C2)C(=O)OCC)C)C | 5 |
C(C1=CC=CC=C1)OC=1C=C2CCN=C(C2=CC1OC)\C=C\C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)C(C)(C)C>>C(C1=CC=CC=C1)OC=1C=C2CCNC(C2=CC1OC)\C=C\C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)C(C)(C)C | 5 |
BrC1=CC(=C(N)C=C1)[N+](=O)[O-].ClC=1C=C(C=CC1C(F)(F)F)B(O)O>>ClC=1C=C(C=CC1C(F)(F)F)C1=CC(=C(C=C1)N)[N+](=O)[O-] | 5 |
CC1(OB(OC1(C)C)C1=NNC=C1)C.C(C)(C)(C)OC(=O)N1C[C@@H](CC1)C1=NC2=C(C(=NC=3C=C(C=CC23)Br)N)N1>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C(C)(C)(C)OC(=O)N1C[C@@H](CC1)C1=NC2=C(C(=NC=3C=C(C=CC23)C2=NNC=C2)N)N1 | 3 |
BrC1=CC=C(C(=N1)C(=O)OC)O>>BrC1=CC=C(C(=N1)CO)O | 5 |
C(C1=CC=CC=C1)OC(=O)N1CCC(C(CC1)NC(=O)C1=NC=CC=C1)=O>>C(C1=CC=CC=C1)OC(=O)N1CCC2=C(CC1)CC(=C2)C2=NC=CC=C2 | 5 |
FC=1C=C(C=CC1F)C(C)=O.C(C)(C)(C)OC(C=CC1=CC=C(C=C1)C=O)=O>[OH-].[K+].C(C)O.O>C(C)(C)(C)OC(C=CC1=CC=C(C=C1)C=CC(=O)C1=CC(=C(C=C1)F)F)=O | 3 |
[Cl:1][C:2]1[C:3](=[O:14])O[C:5](=[O:13])[C:6]=1[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[NH2:15][CH2:16][C:17]1[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=1>C(O)(=O)C>[Cl:1][C:2]1[C:3](=[O:14])[N:15]([CH2:16][C:17]2[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=2)[C:5](=[O:13])[C:6]=1[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C[C@@H]1CN(C[C@@H](N1)C)C(=O)OCC1=CC=CC=C1>O.ClCCl.CCN(CC)CC>C[C@H]1N([C@H](CN(C1)C(=O)OCC1=CC=CC=C1)C)C(=O)OC(C)(C)C | 3 |
BrC=1C(=NC=C(N1)Br)N.N1C=C(C=2C1=NC=CC2)CN>>N1C=C(C=2C1=NC=CC2)CNC2=NC(=CN=C2N)Br | 5 |
NC=1C=C2C(C(=O)N(C2=O)C)=CC1>N(C)(C)C=O.BrCCBr>BrCCNC=1C=C2C(C(=O)N(C2=O)C)=CC1 | 3 |
CN.BrC=1C=C2N=CC(=NC2=CC1)Cl>C1CCCO1>BrC=1C=C2N=CC(=NC2=CC1)NC | 3 |
CI.ClC1=NC=C(C=C1Br)O>>BrC=1C(=NC=C(C1)OC)Cl | 5 |
C(C=C)N(C(=O)Cl)CC=C.FC=1C=CC(=NC1)NN>>FC=1C=CC(=NC1)NNC(=O)N(CC=C)CC=C | 5 |
FC(C1=NNC=C1)(F)F>>FC(C1=NN(C=C1)CO)(F)F | 5 |
F[C:2]1[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][C:3]=1[C:4]#[N:5].[CH2:14]1[O:24][C:18]2([CH2:23][CH2:22][NH:21][CH2:20][CH2:19]2)[O:17][CH:15]1[CH3:16]>C1COCC1.CCOCC.C(=O)([O-])[O-].[Na+].[Na+]>[CH2:14]1[O:24][C:18]2([CH2:23][CH2:22][N:21]([C:2]3[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][C:3]=3[C:4]#[N:5])[CH2:20][CH2:19]2)[O:17][CH:15]1[CH3:16] | 1 |
[CH2:1]([C:3]([CH2:8][OH:9])([CH2:6][OH:7])[CH2:4][CH3:5])[OH:2].[C:10]([OH:14])(=[O:13])[CH:11]=[CH2:12].C1(C=CC(O)=CC=1)O.C(O)C=C>O>[C:10]([OH:14])(=[O:13])[CH:11]=[CH2:12].[C:10]([OH:14])(=[O:13])[CH:11]=[CH2:12].[C:10]([OH:14])(=[O:13])[CH:11]=[CH2:12].[CH2:1]([C:3]([CH2:8][OH:9])([CH2:6][OH:7])[CH2:4][CH3:5])[OH:2] | 1 |
C(C=C)[Mg]Cl.COCOC1=CC=2C3C(C(OC2C=C1)C1=CC=C(C=C1)OCOC)CC(C3)O.C(C)C1CC2C(C(OC=3C=CC(=CC23)OCOC)C2=CC=C(C=C2)OCOC)C1>>C(C)OC(=O)C1C(OC2=CC=C(C=C2C1CC=C)OCC1=CC=CC=C1)=O | 5 |
[Cl:1][C:2]1[CH:15]=[C:14]([F:16])[C:13]([N:17]2[C:22](=[O:23])[CH:21]=[C:20]([C:24]([F:27])([F:26])[F:25])[N:19]([CH3:28])[C:18]2=[O:29])=[CH:12][C:3]=1[O:4][C:5]1[C:6](=[O:11])[NH:7][CH:8]=[CH:9][CH:10]=1.[Sn](Cl)(Cl)(Cl)Cl.ClCCCl.[N+](=[CH:41][C:42]([O:44][CH2:45][CH3:46])=[O:43])=[N-]>CCCCCC.C(OCC)(=O)C>[Cl:1][C:2]1[CH:15]=[C:14]([F:16])[C:13]([N:17]2[C:22](=[O:23])[CH:21]=[C:20]([C:24]([F:27])([F:26])[F:25])[N:19]([CH3:28])[C:18]2=[O:29])=[CH:12][C:3]=1[O:4][C:5]1[C:6]([O:11][CH2:41][C:42]([O:44][CH2:45][CH3:46])=[O:43])=[N:7][CH:8]=[CH:9][CH:10]=1 | 1 |
C(C)(=O)N1C(CCCC1)=O>CO[H].O.O.[Pd].[HH]>N.C(C)(=O)N1CCC(CC1)N | 3 |
[CH3:1][C@@H:2]([C@@H:44]1[C@@:48]2([CH3:88])[CH2:49][C@@H:50]([OH:87])[C@@:51]3([CH3:86])[C@@H:56]4[CH2:57][CH2:58][C@H:59]([O:63][C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C:60]([CH3:62])([CH3:61])[C:55]4=[CH:54][CH2:53][C@H:52]3[C@:47]2([CH3:89])[CH2:46][CH2:45]1)[CH2:3][CH2:4][C@@H:5]([O:10][C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C:6]([OH:9])([CH3:8])[CH3:7]>C([O-])(=O)C.[Na+]>[CH3:1][C@@H:2]([C@@H:44]1[C@@:48]2([CH3:88])[CH2:49][C@@H:50]([OH:87])[C@@:51]3([CH3:86])[C@@H:56]4[CH2:57][CH2:58][C@H:59]([OH:63])[C:60]([CH3:62])([CH3:61])[C:55]4=[CH:54][CH2:53][C@H:52]3[C@:47]2([CH3:89])[CH2:46][CH2:45]1)[CH2:3][CH2:4][C@@H:5]([OH:10])[C:6]([OH:9])([CH3:7])[CH3:8] | 2 |
[BH4-].[Na+].[C:3]([C:6]1[CH:7]=[CH:8][C:9](/[C:14](/[C:33]2[CH:38]=[CH:37][C:36]([C:39]([CH3:42])([CH3:41])[CH3:40])=[CH:35][CH:34]=2)=[CH:15]/[C@@H:16]2[N:20]([CH2:21][C:22]3[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[CH:24][C:23]=3[O:30][CH3:31])[C:19](=[O:32])[CH2:18][CH2:17]2)=[N:10][C:11]=1[O:12][CH3:13])(=[O:5])[CH3:4].O>CO>[C:39]([C:36]1[CH:37]=[CH:38][C:33](/[C:14](/[C:9]2[CH:8]=[CH:7][C:6]([CH:3]([OH:5])[CH3:4])=[C:11]([O:12][CH3:13])[N:10]=2)=[CH:15]\[C@@H:16]2[N:20]([CH2:21][C:22]3[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[CH:24][C:23]=3[O:30][CH3:31])[C:19](=[O:32])[CH2:18][CH2:17]2)=[CH:34][CH:35]=1)([CH3:40])([CH3:41])[CH3:42] | 1 |
CC1=CC(=CC=2C3=C(NC12)CCN1CCCC13)C.S(=O)(=O)([O-])O.S(=S)(=O)(O)O.[Na+]>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+]>C1(CCCCC1)C(CN1C2=C(C=3C=C(C=C(C13)C)C)C1CCCN1CC2)=O | 3 |
[CH2:1]([C:3]1[C:4]([CH3:21])=[C:5]2[C:12](I)=[C:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[S:10][C:6]2=[N:7][C:8]=1[CH3:9])[CH3:2].C([O-])([O-])=O.[K+].[K+].[CH3:28][O:29][C:30]1[CH:35]=[CH:34][C:33](B(O)O)=[CH:32][CH:31]=1>COCCOC.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>[CH2:1]([C:3]1[C:4]([CH3:21])=[C:5]2[C:12]([C:33]3[CH:34]=[CH:35][C:30]([O:29][CH3:28])=[CH:31][CH:32]=3)=[C:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[S:10][C:6]2=[N:7][C:8]=1[CH3:9])[CH3:2] | 1 |
[N+](=O)([O-])C1=C(C(=CC=C1)[N+](=O)[O-])NCCCNC(OC(C)(C)C)=O>>NC1=C(C(=CC=C1)N)NCCCNC(OC(C)(C)C)=O | 5 |
[N:1]1[N:2]=[C:3]([C:10]2[CH:19]=[CH:18][C:17]3[C:12](=[C:13]([OH:20])[CH:14]=[CH:15][CH:16]=3)[N:11]=2)[N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.[N+](C1C=CC(S(O[CH2:34][C:35]([C@@H:38]2[CH2:42][O:41][C:40]([CH3:44])([CH3:43])[O:39]2)([CH3:37])[CH3:36])(=O)=O)=CC=1)([O-])=O.C(=O)([O-])[O-].[Cs+].[Cs+].CN(C)C(=O)C>C(OCC)(=O)C>[N:1]1[N:2]=[C:3]([C:10]2[CH:19]=[CH:18][C:17]3[C:12](=[C:13]([O:20][CH2:37][C:35]([C@@H:38]4[CH2:42][O:41][C:40]([CH3:44])([CH3:43])[O:39]4)([CH3:34])[CH3:36])[CH:14]=[CH:15][CH:16]=3)[N:11]=2)[N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12 | 1 |
Br[CH:2]([C:6](=O)[CH3:7])[C:3](=[O:5])[CH3:4].[NH2:9][C:10]([NH2:12])=[O:11].C([O-])(O)=O.[Na+].[Na+].[Cl-]>CC(C)=O.O.CCOC(C)=O>[NH2:12][C:10]1[O:11][C:2]([C:3](=[O:5])[CH3:4])=[C:6]([CH3:7])[N:9]=1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([C:8]2([C:15]3[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=3)[C:12](=S)[S:11][C:10](=S)[NH:9]2)[CH:5]=[CH:6][CH:7]=1.[NH2:23][CH2:24][CH:25]([CH2:30][NH2:31])[C:26]([O:28][CH3:29])=[O:27].C(N(CC)CC)C>C(O)C>[Br:1][C:2]1[CH:3]=[C:4]([C:8]2([C:15]3[CH:16]=[CH:17][C:18]([O:21][CH3:22])=[CH:19][CH:20]=3)[C:12]3=[N:23][CH2:24][CH:25]([C:26]([O:28][CH3:29])=[O:27])[CH2:30][N:31]3[C:10](=[S:11])[NH:9]2)[CH:5]=[CH:6][CH:7]=1 | 2 |
[NH:1](C(OC(C)(C)C)=O)[CH2:2][C:3]([NH:5][CH2:6][C:7]([O:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:8])=[O:4].[C:24]([OH:30])([C:26]([F:29])([F:28])[F:27])=[O:25]>C(Cl)Cl>[NH2:1][CH2:2][C:3]([NH:5][CH2:6][C:7]([O:9][CH2:10][C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1)=[O:8])=[O:4].[F:27][C:26]([C:24]([OH:30])=[O:25])([F:29])[F:28] | 2 |
ClC(CCC(=O)OC)=O.FC=1C=C(C=CC1)Br>[Al](Cl)(Cl)Cl.ClCCCl>BrC1=CC(=C(C=C1)C(CCC(=O)OC)=O)F | 3 |
NC1=CC=C2CCC(NC2=C1)=O.Br.BrCCNCCBr>CO[H].C([O-])([O-])=O.[Na+].[Na+]>Br.N1(CCNCC1)C1=CC=C2CCC(NC2=C1)=O | 3 |
C(C)OC(CCN)=O.CC1(CC(C1)C(C1=CC=C(C(=O)O)C=C1)NC=1C=NC2=CC=CC=C2C1)C>ClCCl.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>CC1(CC(C1)C(C1=CC=C(C(=O)NCCC(=O)OCC)C=C1)NC=1C=NC2=CC=CC=C2C1)C | 3 |
C1(CC1)C(=O)N.ClC=1C=C2C(=CN1)N(C(=C2C)C2=C(C=CC=C2)F)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>FC1=C(C=CC=C1)C1=C(C=2C(=CN=C(C2)NC(=O)C2CC2)N1C)C | 3 |
C[Si](C)(C)C=[N+]=[N-].CO.C1=CC=CC=C1.C1(=CC=CC=C1)C=1C=C(C(=O)O)C=CN1>>C1(=CC=CC=C1)C=1C=C(C(=O)OC)C=CN1 | 5 |
ClC=1N=CNC1Cl.BrCC1=CC=CC2=CC=CC=C12.BrCC1=C(C(=C(C(=C1C)CBr)C)CBr)C>C1CCCO1>[Br-].CC1=C(C(=C(C(=C1C[N+]1=CN(C(=C1Cl)Cl)CC1=CC=CC2=CC=CC=C12)C)C[N+]1=CN(C(=C1Cl)Cl)CC1=CC=CC2=CC=CC=C12)C)C[N+]1=CN(C(=C1Cl)Cl)CC1=CC=CC2=CC=CC=C12.[Br-].[Br-] | 3 |
FC=1C=C(C=NC1)B(O)O.O=C1NN=C(C=C1C(=O)OCC)C=1C=NC(=CC1)C(F)(F)F>CC#N.O.c1ccncc1.CCN(CC)CC.Cl.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>FC=1C=C(C=NC1)N1N=C(C=C(C1=O)C(=O)OCC)C=1C=NC(=CC1)C(F)(F)F | 3 |
C(C)(C)(C)NC1CN(CC1)C1=NC2=CC=C(N=C2C=C1)Cl.COC=1C(=CC2=C(N=C(S2)C)C1)B1OC(C(O1)(C)C)(C)C>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[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)NC1CN(CC1)C1=NC2=CC=C(N=C2C=C1)C1=CC2=C(N=C(S2)C)C=C1OC | 3 |
NC1=CC=C(C=C1)CS(=O)(=O)N(C)C>>Cl.N(N)C1=CC=C(C=C1)CS(=O)(=O)N(C)C | 5 |
O1CCOC12CC1(CC(CC1)CCCC(C)(O)C)CCC2>O.CC(=O)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>OC(CCCC1CC2(CC1)CC(CCC2)=O)(C)C | 3 |
O[CH2:2][C@:3]1([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH:7]([CH3:8])[C:6](=[O:9])[N:5]([C@@H:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH3:11])[CH2:4]1.C1(C)C=CC=CC=1.C(N(S(F)(F)[F:38])CC)C.C(=O)([O-])O.[Na+]>ClCCl>[F:38][CH2:2][C@:3]1([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH:7]([CH3:8])[C:6](=[O:9])[N:5]([C@@H:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH3:11])[CH2:4]1 | 1 |
[Br-].C(C1=CC=CC=C1)[N+]12CCCC(CCC1)(C2)C(=O)OCC>CCO[H].[HH].[Pd]>N12CCCC(CCC1)(C2)C(=O)OCC | 3 |
I[Si](C)(C)C.C(C)(C)OC(=O)N1C2=C(C(CCC1)=O)N=C(C(=C2)C(F)(F)F)C>>CC=1C(=CC=2NCCCC(C2N1)=O)C(F)(F)F | 5 |
BrC1=C(C(=C(C(=O)C(C(=O)OCC)=CNC2CC2)C=C1F)F)C>O.C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC1=C(C=C2C(C(=CN(C2=C1C)C1CC1)C(=O)OCC)=O)F | 3 |
FC1=C(C=CC=C1)[N+](=O)[O-].NC1CC(CCC1)N>>[N+](=O)([O-])C1=C(C=CC=C1)NC1CC(CCC1)N | 5 |
ClC1=NC(=NC(=N1)C)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC.C(C)(C)(C)OC(=O)N1C[C@H](N(CC1)C(C)C=1C=C(C(=NC1)F)B(O)O)C>O.O1CCOCC1.C(C)(=O)[O-].[K+].Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(N(C)C)C=C1)C(C)(C)C>COC1=CC=C(CN(C2=NC(=NC(=N2)C)C=2C=C(C=NC2F)C(C)N2[C@@H](CN(CC2)C(=O)OC(C)(C)C)C)CC2=CC=C(C=C2)OC)C=C1 | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][CH2:12][CH2:13][C:14]2[CH:15]=[CH:16][CH:17]=[C:18]3[C:22]=2[CH2:21][C:20]([CH3:23])=[CH:19]3)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[C:24]([O-])([O-])=O.[Cs+].[Cs+].CI>CN(C=O)C>[CH3:24][N:11]([CH2:12][CH2:13][C:14]1[CH:15]=[CH:16][CH:17]=[C:18]2[C:22]=1[CH2:21][C:20]([CH3:23])=[CH:19]2)[S:8]([C:5]1[CH:4]=[CH:3][C:2]([CH3:1])=[CH:7][CH:6]=1)(=[O:10])=[O:9] | 1 |
[CH3:1][C:2]([CH3:16])([O:4][C:5]([NH:7][C:8]1[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][C:9]=1[Cl:15])=[O:6])[CH3:3].C([O-])([O-])=O.[Cs+].[Cs+].Br[CH2:24][C:25]([O:27][CH2:28][CH3:29])=[O:26]>CN(C=O)C>[CH3:3][C:2]([CH3:16])([O:4][C:5]([NH:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][CH2:24][C:25]([O:27][CH2:28][CH3:29])=[O:26])=[CH:10][C:9]=1[Cl:15])=[O:6])[CH3:1] | 1 |
N1=CC(=CC=C1)C=O.C(N)(OC(C)(C)C)=O.[Na+].C1(=CC=CC=C1)S(=O)[O-]>>C1(=CC=CC=C1)S(=O)(=O)C(C=1C=NC=CC1)NC(OC(C)(C)C)=O | 5 |
ClC1=CC2=C(O[C@@H](CO2)COS(=O)(=O)C2=CC=C(C=C2)C)C=C1Cl>N(C)(C)C=O.C1(C=2C(C(N1)=O)=CC=CC2)=O.[K]>ClC1=CC2=C(O[C@H](CO2)CN2C(C3=CC=CC=C3C2=O)=O)C=C1Cl | 3 |
C1(C2C(O[C@@H]3CCCN(CC4C=C(Cl)C=C(Cl)C=4)C3)=CC(F)=C(C=2)C(O)=O)CC1.[Cl:30][C:31]1[CH:32]=[C:33]([CH:38]([N:43]2[CH2:48][CH2:47][CH:46]([CH2:49][O:50][C:51]3[C:59]([CH:60]4[CH2:62][CH2:61]4)=[CH:58][C:54]([C:55](O)=[O:56])=[C:53]([F:63])[CH:52]=3)[CH2:45][CH2:44]2)[C:39]([F:42])([F:41])[F:40])[CH:34]=[CH:35][C:36]=1[F:37].[CH:64]1([S:67]([NH2:70])(=[O:69])=[O:68])CC1.CS(N)(=O)=O>>[Cl:30][C:31]1[CH:32]=[C:33]([CH:38]([N:43]2[CH2:48][CH2:47][CH:46]([CH2:49][O:50][C:51]3[C:59]([CH:60]4[CH2:62][CH2:61]4)=[CH:58][C:54]([C:55]([NH:70][S:67]([CH3:64])(=[O:69])=[O:68])=[O:56])=[C:53]([F:63])[CH:52]=3)[CH2:45][CH2:44]2)[C:39]([F:42])([F:41])[F:40])[CH:34]=[CH:35][C:36]=1[F:37] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([N:8]2[C:13](=[O:14])[C:12](OS(C3C=CC(C)=CC=3)(=O)=O)=[C:11]([C:26]3[CH:31]=[CH:30][C:29]([S:32]([CH3:35])(=[O:34])=[O:33])=[CH:28][CH:27]=3)[CH:10]=[N:9]2)[CH:5]=[CH:6][CH:7]=1.[C:36]1(C)[C:41]([SH:42])=[CH:40][CH:39]=[CH:38][CH:37]=1.[C:44]([O-])([O-])=O.[K+].[K+].O>CCO>[Cl:1][C:2]1[CH:3]=[C:4]([N:8]2[C:13](=[O:14])[C:12]([S:42][C:41]3[CH:36]=[CH:37][C:38]([CH3:44])=[CH:39][CH:40]=3)=[C:11]([C:26]3[CH:31]=[CH:30][C:29]([S:32]([CH3:35])(=[O:34])=[O:33])=[CH:28][CH:27]=3)[CH:10]=[N:9]2)[CH:5]=[CH:6][CH:7]=1 | 1 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[Br:11][C:12]1[CH:13]=[CH:14][C:15]2[CH:19]=[C:18]([CH2:20][OH:21])[S:17][C:16]=2[CH:22]=1.C(N(CC)CC)C>C(Cl)Cl>[Br:11][C:12]1[CH:13]=[CH:14][C:15]2[CH:19]=[C:18]([CH:20]=[O:21])[S:17][C:16]=2[CH:22]=1 | 1 |
CN1C=C(C=C(C1=O)NC1=NC=C(C=C1)N1CCN(CC1)C1COC1)C1=C(C=O)C(=CC=N1)N1C(C=2N(C=3CCCCC3C2)CC1)=O>CO[H].[Na+].[BH4-]>OCC=1C(=NC=CC1N1C(C=2N(C=3CCCCC3C2)CC1)=O)C1=CN(C(C(=C1)NC1=NC=C(C=C1)N1CCN(CC1)C1COC1)=O)C | 3 |
[H][H].Cl.[NH2:4][C:5]1[C:14]2[C:9](=[CH:10][C:11]([Br:15])=[CH:12][CH:13]=2)[CH:8]=[CH:7][C:6]=1[NH:16][CH:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1.C(N(CC)CC)C.CC[C:32]([C:34](Cl)=[O:35])=[O:33]>C(O)C.O1CCCC1.[Ni]>[Br:15][C:11]1[CH:12]=[CH:13][C:14]2[C:5]3[NH:4][C:34](=[O:35])[C:32](=[O:33])[N:16]([CH:17]4[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]4)[C:6]=3[CH:7]=[CH:8][C:9]=2[CH:10]=1 | 1 |
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