smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[NH:12][C:11]=2[C:19]([O:21]C)=O)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O.[NH2:24][NH2:25]>C(O)C>[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[NH:12][C:11]=2[C:19]([NH:24][NH2:25])=[O:21])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 2 |
C(C)OC(=O)N1CCN(CC1)C(=O)C(CC1=C(C=CC=C1)O)NC(=O)C1=NC2=CC=CC=C2C(=C1)OC>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>C(C)OC(=O)N1CCN(CC1)C(=O)C(CC1=C(C=CC=C1)OS(=O)(=O)C(F)(F)F)NC(=O)C1=NC2=CC=CC=C2C(=C1)OC | 3 |
[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([O:17][CH3:18])=[CH:14][CH:15]=2)[C:10](C=CC(OC)=O)=[N:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[O:25]1CCC[CH2:26]1>O.I([O-])(=O)(=O)=O.[Na+].[Os](=O)(=O)(=O)=O>[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([O:17][CH3:18])=[CH:14][CH:15]=2)[C:10]([CH:26]=[O:25])=[N:9]1)=[O:7])([CH3:3])([CH3:2])[CH3:4] | 1 |
[C:1]([O-:5])(=[O:4])[CH:2]=[CH2:3].[CH2:6]([NH:8][CH2:9][CH3:10])[CH3:7].C(C1C=CC(P([O-])([O-])[O-])=C(CCCCCCCCC)C=1CCCCCCCCC)CCCCCCCC>>[C:1]([O-:5])(=[O:4])[CH:2]=[CH2:3].[CH2:6]([NH:8][CH2:9][CH3:10])[CH3:7] | 1 |
[Br:1][C:2]1[CH:14]=[CH:13][C:5]([C:6]([CH2:8][CH2:9][C:10]([OH:12])=[O:11])=[O:7])=[CH:4][C:3]=1[N+:15]([O-])=O.Br>C(O)C>[NH2:15][C:3]1[CH:4]=[C:5]([CH:13]=[CH:14][C:2]=1[Br:1])[C:6]([CH2:8][CH2:9][C:10]([OH:12])=[O:11])=[O:7] | 1 |
[B-](F)(F)(F)F.[B-](F)(F)(F)F.[CH2:11]1[N+:16]2([CH2:19]Cl)[CH2:17][CH2:18][N+:13](F)([CH2:14][CH2:15]2)[CH2:12]1.CN1CC[C@]2(N=C(C3[CH:35]=[C:34]([C:36]4[CH:41]=[CH:40][C:39]([C:42]([F:45])([F:44])[F:43])=[CH:38][CH:37]=4)[CH:33]=[CH:32][N:31]=3)CC2)C1=O.[F:49][C:50](F)([F:54])[C:51](O)=O.[OH-:56].[Na+]>CC#N>[F:49][C:50]1([F:54])[CH2:51][C@@:18]2([CH2:14][CH2:15][N:16]([CH3:19])[C:17]2=[O:56])[N:13]=[C:12]1[C:11]1[CH:35]=[C:34]([C:36]2[CH:37]=[CH:38][C:39]([C:42]([F:43])([F:44])[F:45])=[CH:40][CH:41]=2)[CH:33]=[CH:32][N:31]=1 | 1 |
COC(C(C1=CC(=CC=C1)C(F)(F)F)Br)=O>>C(C)(C)(C)OC(=O)N1CCN(CC1)C(C1=CC(=CC=C1)C(F)(F)F)C(=O)OCC | 5 |
Br[C:2]1[S:3][CH:4]=[CH:5][C:6]=1[C:7]([O:9]C)=O.Cl.[NH2:12][C:13]1[CH:18]=[C:17]([C:19]([O:21][CH3:22])=[O:20])[CH:16]=[CH:15][C:14]=1B(O)O.C([O-])(=O)C.[Na+].O>CN(C=O)C.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[O:9]=[C:7]1[C:6]2[CH:5]=[CH:4][S:3][C:2]=2[C:14]2[CH:15]=[CH:16][C:17]([C:19]([O:21][CH3:22])=[O:20])=[CH:18][C:13]=2[NH:12]1 | 1 |
[NH2:1][C:2]1[C:24]([CH3:25])=[C:23]([CH3:26])[C:5]2[O:6][C@@:7]([CH3:22])([CH2:9][N:10]3[CH2:15][CH2:14][CH:13]([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[CH2:12][CH2:11]3)[CH2:8][C:4]=2[C:3]=1[CH3:27].[BrH:28]>CO.C(O)(=O)C>[BrH:28].[BrH:28].[NH2:1][C:2]1[C:24]([CH3:25])=[C:23]([CH3:26])[C:5]2[O:6][C@@:7]([CH3:22])([CH2:9][N:10]3[CH2:15][CH2:14][CH:13]([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[CH2:12][CH2:11]3)[CH2:8][C:4]=2[C:3]=1[CH3:27] | 1 |
O=C1C(=CC(=C2C=CC=CN12)CN1CCN(CC1)C1=CC(=NC=C1)C=C)C(=O)OCC>>C(C)C1=NC=CC(=C1)N1CCN(CC1)CC=1C=C(C(N2C=CC=CC12)=O)C(=O)O | 5 |
[CH3:1][C:2]([CH:4]1[CH2:6][CH2:5]1)=[O:3].[CH:7](OC)(OC)[O:8]C.CO.[C:16]1(C)C=CC(S(O)(=O)=O)=CC=1.C[O-].[Na+]>>[CH3:16][O:3][C:2]([CH:4]1[CH2:6][CH2:5]1)([O:8][CH3:7])[CH3:1] | 2 |
C(=O)(OC(C)(C)C)N1CC(C1)=O.CC1(CNCCO1)C>>C(C)(C)(C)OC(=O)N1CC(C1)N1CC(OCC1)(C)C | 5 |
[CH:1]1(S)[CH2:5][CH2:4][CH2:3][CH2:2]1.C(OO)(=O)C.[S:12](=[O:15])([OH:14])[O-:13].[Na+].Cl>O.C(Cl)Cl>[CH:1]1([S:12]([OH:14])(=[O:13])=[O:15])[CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
C1=CC(=CC=C1OC(=O)Cl)Cl.COC(C1=C(C=C(C(=C1)C1COCC1)C(F)(F)F)N)=O>O1CCOCC1>COC(C1=C(C=C(C(=C1)C1COCC1)C(F)(F)F)NC(=O)OC1=CC=C(C=C1)Cl)=O | 3 |
ClC1=C(CNC2=NC(=NC3=CC=C(C=C23)N)N2CCC(CC2)CCN2CCCC2)C=CC(=C1)Cl>>ClC1=C(CNC2=NC(=NC3=CC=C(C=C23)NC(C)=O)N2CCC(CC2)CCN2CCCC2)C=CC(=C1)Cl | 5 |
[CH3:1][O:2][CH:3]1[CH2:8][N:7](C(OCC2C=CC=CC=2)=O)[C@H:6]([CH3:19])[CH2:5][CH2:4]1.[H][H]>C(OCC)(=O)C.[Pd]>[CH3:1][O:2][CH:3]1[CH2:8][NH:7][C@H:6]([CH3:19])[CH2:5][CH2:4]1 | 1 |
BrCC(=O)C1=CSC=C1.C(C)(C)(C)OC(=O)NC(C(=O)O[C@H]1CN2CCC1CC2)C2=CC=CC=C2>>[Br-].C(C)(C)(C)OC(=O)NC(C(=O)O[C@H]1C[N+]2(CCC1CC2)CC(C2=CSC=C2)=O)C2=CC=CC=C2 | 5 |
ClC(C)(C)C=1C=C(CNC[C@H]([C@H](CC2=CC=CC=C2)NC(OC(C)(C)C)=O)O)C=C(C1)O>ClCCl.C(=O)(C(F)(F)F)O>N[C@H]([C@@H](CNCC=1C=C(C=C(C1)C(=C)C)O)O)CC1=CC=CC=C1 | 3 |
FC=1C=C(C=NC1OC)N.[Si](C)(C)(C(C)(C)C)OCC(C)C=1C=C(C(=NC1)F)C1=NC(=NC(=N1)C)N>>[Si](C)(C)(C(C)(C)C)OCC(C)C=1C=C(C(=NC1)NC=1C=NC(=C(C1)F)OC)C1=NC(=NC(=N1)C)N | 5 |
[N+](=O)([O-])C1=CC=C(C(=O)O)C=C1.NC1=C(C=CC=C1)S(=O)(=O)NC1=CC=C(C=C1)OC>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>COC1=CC=C(C=C1)NS(=O)(=O)C1=C(C=CC=C1)NC(C1=CC=C(C=C1)[N+](=O)[O-])=O | 3 |
FC1=C(C=CC(=C1)F)S(=O)(=O)NC=1C=C2C3(C(NC2=C(C1)C#CC1CCN(CC1)C(=O)OC(C)(C)C)=O)CCC3>CO[H].[HH].[Pd]>FC1=C(C=CC(=C1)F)S(=O)(=O)NC=1C=C2C3(C(NC2=C(C1)CCC1CCN(CC1)C(=O)OC(C)(C)C)=O)CCC3 | 3 |
C12CN(CC2C1C(=O)OCC)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1CC2C(C2C1)C(=O)O | 5 |
[N+](C1C=CC(OC(NC2SC(C3C=CC=CC=3)=CN=2)=O)=CC=1)([O-])=O.C1(C2SC(NC(N[N:40]3[CH2:45][CH2:44][N:43]([CH2:46][C:47]([N:49]4[CH2:53][CH2:52][CH2:51][CH2:50]4)=[O:48])[CH2:42][CH2:41]3)=O)=NC=2)C=CC=CC=1>>[N:49]1([C:47]([CH2:46][N:43]2[CH2:42][CH2:41][NH:40][CH2:45][CH2:44]2)=[O:48])[CH2:50][CH2:51][CH2:52][CH2:53]1 | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[N:14]=[CH:13][N:12]=[C:11]([NH2:15])[CH:10]=1.[CH2:16]([O:23][C:24]([N:26]1[CH2:31][CH2:30][CH2:29][C@@H:28]([C:32](Cl)=[O:33])[CH2:27]1)=[O:25])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.C(OCC)(=O)C>ClCCl.CN(C)C1C=CN=CC=1.CCCCCC>[CH2:16]([O:23][C:24]([N:26]1[CH2:31][CH2:30][CH2:29][C@@H:28]([C:32](=[O:33])[NH:15][C:11]2[CH:10]=[C:9]([C:4]3[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=3[O:2][CH3:1])[N:14]=[CH:13][N:12]=2)[CH2:27]1)=[O:25])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 1 |
ClC1=C(CN2C(=NC3=C2C=C(C=C3)OCCC(C(=O)OCC)(C)C)C)C=CC(=C1)Cl>CCO[H].[OH-].[Na+]>ClC1=C(CN2C(=NC3=C2C=C(C=C3)OCCC(C(=O)O)(C)C)C)C=CC(=C1)Cl | 3 |
FC1=C(OC2CC(C2)C(=O)OCC)C(=CC(=C1)F)F>C1CCCO1.C(C)(=O)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.O.O.O.C(=O)([O-])C(O)C(O)C(=O)[O-].[Na+].[K+]>FC1=C(OC2CC(C2)CO)C(=CC(=C1)F)F | 3 |
Cl.ClCCN1CCOCC1.OC(=O)C(F)(F)F.C1(=CCCCC1)C1=C(C=CC(=C1)C1CCNCC1)NC(=O)C=1N(C=C(N1)C#N)COCC[Si](C)(C)C>>C1(=CCCCC1)C1=C(C=CC(=C1)C1CCN(CC1)CCN1CCOCC1)NC(=O)C=1N(C=C(N1)C#N)COCC[Si](C)(C)C | 5 |
FC1=CC=C(C=O)C=C1.NC=1C=2N(C=CN1)C(=NC2C2=C(C=C(C(=O)NC1=NC=CC(=C1)C(F)(F)F)C=C2)OC)[C@H]2CN([C@H](CO2)C)C2CNC2>N(C)(C)C=O.CO[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>NC=1C=2N(C=CN1)C(=NC2C2=C(C=C(C(=O)NC1=NC=CC(=C1)C(F)(F)F)C=C2)OC)[C@H]2CN([C@H](CO2)C)C2CN(C2)CC2=CC=C(C=C2)F | 3 |
[P:1]([O:36]C(C)(C)C)([O:31]C(C)(C)C)([O:3][CH2:4][CH2:5][N:6]([CH3:30])[C:7](=[O:29])[C:8]1[CH:13]=[C:12]([N:14]([CH2:18][CH2:19][Br:20])[CH2:15][CH2:16][Br:17])[C:11]([S:21]([CH2:24][CH3:25])(=[O:23])=[O:22])=[CH:10][C:9]=1[N+:26]([O-:28])=[O:27])=[O:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[P:1]([OH:36])([OH:31])([O:3][CH2:4][CH2:5][N:6]([CH3:30])[C:7](=[O:29])[C:8]1[CH:13]=[C:12]([N:14]([CH2:15][CH2:16][Br:17])[CH2:18][CH2:19][Br:20])[C:11]([S:21]([CH2:24][CH3:25])(=[O:22])=[O:23])=[CH:10][C:9]=1[N+:26]([O-:28])=[O:27])=[O:2] | 2 |
[N:1]1([C:6]2[S:7][CH:8]=[C:9]([CH2:11][OH:12])[N:10]=2)[CH:5]=[CH:4][CH:3]=[CH:2]1.CS(Cl)(=O)=O.[H-].[Na+].O[C:21]1[CH:26]=[CH:25][C:24]([CH2:27][CH2:28][CH2:29][N:30]2[CH:34]=[CH:33][N:32]=[CH:31]2)=[CH:23][CH:22]=1>CN(C)C=O.O.C(OCC)(=O)C.C(N(CC)CC)C>[N:30]1([CH2:29][CH2:28][CH2:27][C:24]2[CH:25]=[CH:26][C:21]([O:12][CH2:11][C:9]3[N:10]=[C:6]([N:1]4[CH:2]=[CH:3][CH:4]=[CH:5]4)[S:7][CH:8]=3)=[CH:22][CH:23]=2)[CH:34]=[CH:33][N:32]=[CH:31]1 | 1 |
ClC1=CNC2=CC(=CC=C12)C(=O)NC(COCC1CCNCC1)CCCC>>ClC1=CNC2=CC(=CC=C12)C(=O)NC(COCC1CCN(CC1)C(C)C)CCCC | 5 |
ClC1=NC=C(C(=N1)NC(CC)CC)C#CC(C)O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC=1N=CC2=C(N1)N(C(=C2)C(C)O)C(CC)CC | 3 |
[C:1]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N:9]1[C@@H:13]([CH2:14][OH:15])[CH2:12][N:11]([C:16]([O:18][CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[O:17])[C:10]1=[O:26])#[N:2].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>C(Cl)Cl>[C:1]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N:9]1[C@@H:13]([CH:14]=[O:15])[CH2:12][N:11]([C:16]([O:18][CH2:19][C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)=[O:17])[C:10]1=[O:26])#[N:2] | 2 |
O1C(CCCC1)N1N=C(C2=CC(=CC=C12)C1=NN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C=1C=C(C=CC1)C(=O)N1CC2=CC=CC=C2C1>Cl.O1CCOCC1>N1N=CN=C1C=1C=C2C(=NNC2=CC1)C=1C=C(C=CC1)C1N(CC2=CC=CC=C12)C(=O)N1C(C2=CC=CC=C2C1)C1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NC=NN1 | 3 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4](F)[CH:3]=1.[CH:11]1([CH:14]([OH:26])[CH2:15][CH2:16][N:17]([CH3:25])[C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21])[CH2:13][CH2:12]1>>[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([CH:3]=1)[O:26][CH:14]([CH:11]1[CH2:12][CH2:13]1)[CH2:15][CH2:16][N:17]([CH3:25])[C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21] | 1 |
[C-]#N.[Zn+2].[C-]#N.NC1=NC=C(C=C1OC1CN(CC12CC2)C(=O)OC(C)(C)C)Br>>NC1=NC=C(C=C1OC1CN(CC12CC2)C(=O)OC(C)(C)C)C#N | 5 |
ClCC1=CC=CC(=N1)C(=O)OC.C1(=CC=CC=C1)C=1NC2=CC=C(C=C2C1)OC>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>COC=1C=C2C=C(N(C2=CC1)CC1=CC=CC(=N1)C(=O)OC)C1=CC=CC=C1 | 3 |
C1(CC1)COC=1C=C(OC2CN(C2)C=2SC3=C(N2)C=C(C=C3)C(C)O)C=CC1>C1(=CC=CC=C1)C.C1CCCO1.C1CCC2=NCCCN2CC1.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>N(=[N+]=[N-])C(C)C=1C=CC2=C(N=C(S2)N2CC(C2)OC2=CC(=CC=C2)OCC2CC2)C1 | 3 |
[O:1]=[C:2]1[C:7]2=[CH:8][C:9]3[CH:10]=[CH:11][C:12]([C:15]([O:17]CC)=[O:16])=[CH:13][C:14]=3[N:6]2[C:5]2([CH2:22][CH2:21][CH2:20]2)[CH2:4][NH:3]1.CO.[OH-].[Na+].Cl>C1COCC1.O>[O:1]=[C:2]1[C:7]2=[CH:8][C:9]3[CH:10]=[CH:11][C:12]([C:15]([OH:17])=[O:16])=[CH:13][C:14]=3[N:6]2[C:5]2([CH2:20][CH2:21][CH2:22]2)[CH2:4][NH:3]1 | 2 |
Cl[C:2]1[CH:3]=[C:4]([C:9]2[N:13]3[C:14]4[N:22]=[C:21]([O:23][CH3:24])[CH:20]=[CH:19][C:15]=4[N:16]=[C:17]([CH3:18])[C:12]3=[C:11]([CH3:25])[N:10]=2)[CH:5]=[C:6](Cl)[CH:7]=1.[CH3:26][O:27]C1C=C(B(O)O)C=CC=1.C([O-])([O-])=O.[K+].[K+]>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:24][O:23][C:21]1[CH:20]=[CH:19][C:15]2[N:16]=[C:17]([CH3:18])[C:12]3[N:13]([C:9]([C:4]4[CH:5]=[CH:6][CH:7]=[C:2]([O:27][CH3:26])[CH:3]=4)=[N:10][C:11]=3[CH3:25])[C:14]=2[N:22]=1 | 2 |
ClC=1C=C(N)C=CC1.C(C)OC(=O)C1=NC(=CC(=C1)C1=CC=C(C=C1)F)C>O1CCOCC1.CCCCCC.C[Al](C)C>ClC=1C=C(C=CC1)NC(=O)C1=NC(=CC(=C1)C1=CC=C(C=C1)F)C | 3 |
ClC1=CC(=C(C=C1)C1(OC2=C(O1)C=CC=C2C2CCN(CC2)CC2=NC1=C(N2C[C@H]2OCC2)C=CC(=C1)C(=O)NNC(=O)N)C)F>O.CCO[H].C(O)([O-])=O.[Na+]>ClC1=CC(=C(C=C1)C1(OC2=C(O1)C=CC=C2C2CCN(CC2)CC2=NC1=C(N2C[C@H]2OCC2)C=CC(=C1)C1=NNC(N1)=O)C)F | 3 |
[H][H].[CH2:3]=[CH:4][CH3:5].[CH3:6][C:7]1[C:12]2COC(=O)[C:11]=2C(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=[C:9]([CH2:30]/[CH:31]=[C:32](/[CH2:34][CH2:35][C:36](O)=O)\C)[C:8]=1OC>CO>[CH2:3]=[CH:4][CH2:5][CH2:36][CH2:35][CH2:34][CH2:32][CH2:31][CH2:30][CH2:9][CH2:8][CH2:7][CH2:12][CH3:11].[CH2:6]=[CH:7][CH3:8] | 2 |
C1(CC1)COC1=CC=C(C=C1)[N+](=O)[O-]>>C1(CC1)COC1=CC=C(N)C=C1 | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][C:5]1([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH:9]=[C:8]([C:10]2[CH:15]=[C:14]([Cl:16])[CH:13]=[CH:12][C:11]=2[F:17])[CH2:7][N:6]1[C:18]([N:20]([CH3:22])[CH3:21])=[O:19].C[Si]([N:33]=[C:34]=[O:35])(C)C.C(N(CC)CC)C>C(Cl)Cl>[NH2:33][C:34]([NH:1][CH2:2][CH2:3][CH2:4][C:5]1([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[CH:9]=[C:8]([C:10]2[CH:15]=[C:14]([Cl:16])[CH:13]=[CH:12][C:11]=2[F:17])[CH2:7][N:6]1[C:18]([N:20]([CH3:22])[CH3:21])=[O:19])=[O:35] | 1 |
C1(=CC=CC=C1)C1=NC(=C2N1CCN(C2)C(=O)OC(C)(C)C)C(NC2C1(CCC(C2(C)C)C1)C)=O>>Cl.C1(=CC=CC=C1)C1=NC(=C2N1CCNC2)C(=O)NC2C1(CCC(C2(C)C)C1)C | 5 |
Cl.[CH:2]1([N:5]([CH:19]2[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]2)[C:6](=[O:18])[C:7]2[CH:12]=[CH:11][C:10]([C:13]3[O:17][CH:16]=[N:15][CH:14]=3)=[CH:9][CH:8]=2)[CH2:4][CH2:3]1.Br[C:26]1[CH:31]=[N:30][C:29]([CH:32]2[CH2:34][CH2:33]2)=[CH:28][N:27]=1>CN1CCCC1=O>[CH:2]1([N:5]([CH:19]2[CH2:24][CH2:23][N:22]([C:26]3[CH:31]=[N:30][C:29]([CH:32]4[CH2:34][CH2:33]4)=[CH:28][N:27]=3)[CH2:21][CH2:20]2)[C:6](=[O:18])[C:7]2[CH:8]=[CH:9][C:10]([C:13]3[O:17][CH:16]=[N:15][CH:14]=3)=[CH:11][CH:12]=2)[CH2:4][CH2:3]1 | 1 |
ClC(N(C)C)=C(C)C.[C:9]([O:13][C:14]([NH:16][CH2:17][C:18]1[CH:19]=[CH:20][C:21]([Cl:27])=[C:22]([CH:26]=1)[C:23]([OH:25])=O)=[O:15])([CH3:12])([CH3:11])[CH3:10].N1C=CC=CC=1.C([O:36][C:37](=[O:50])[C:38]1[CH:43]=[C:42]([NH2:44])[CH:41]=[CH:40][C:39]=1[O:45][CH2:46][CH2:47][O:48][CH3:49])C>CC#N>[C:9]([O:13][C:14]([NH:16][CH2:17][C:18]1[CH:19]=[CH:20][C:21]([Cl:27])=[C:22]([CH:26]=1)[C:23]([NH:44][C:42]1[CH:41]=[CH:40][C:39]([O:45][CH2:46][CH2:47][O:48][CH3:49])=[C:38]([CH:43]=1)[C:37]([OH:50])=[O:36])=[O:25])=[O:15])([CH3:10])([CH3:11])[CH3:12] | 1 |
[C:1]([O:5][C:6]([N:8]([CH2:31][CH:32]1[CH2:37][CH2:36][N:35]([C:38]([CH:40]2[CH2:43][N:42](C(OCC3C=CC=CC=3)=O)[CH2:41]2)=[O:39])[CH2:34][CH2:33]1)[CH2:9][C@H:10]([O:23][Si:24]([C:27]([CH3:30])([CH3:29])[CH3:28])([CH3:26])[CH3:25])[C:11]1[CH:20]=[CH:19][C:18]([OH:21])=[C:17]2[C:12]=1[CH:13]=[CH:14][C:15](=[O:22])[NH:16]2)=[O:7])([CH3:4])([CH3:3])[CH3:2].CC1CC=CCC=1>C(O)C.[Pd]>[NH:42]1[CH2:43][CH:40]([C:38]([N:35]2[CH2:36][CH2:37][CH:32]([CH2:31][N:8]([CH2:9][C@H:10]([O:23][Si:24]([C:27]([CH3:30])([CH3:29])[CH3:28])([CH3:26])[CH3:25])[C:11]3[CH:20]=[CH:19][C:18]([OH:21])=[C:17]4[C:12]=3[CH:13]=[CH:14][C:15](=[O:22])[NH:16]4)[C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[CH2:33][CH2:34]2)=[O:39])[CH2:41]1 | 2 |
C(C1=CC=CC=C1)N1CC(C(C(C1)(C)C)=O)C(=O)OCC>>NC1=C(CN(CC1(C)C)CC1=CC=CC=C1)C(=O)OCC | 5 |
COC1=C(C(=O)NC(C)C2=CN=C(N=N2)NC2=CC=C(C=C2)OC)C=CC=C1>ClCCCl.P(=O)(Cl)(Cl)Cl>CC=1N=C(N2N=C(N=CC21)NC2=CC=C(C=C2)OC)C2=C(C=CC=C2)OC | 3 |
N1=C(C=CC=C1)NC(OC1=CC=CC=C1)=O.CC1CCNC2=NC(=CC=C12)C1=CC(=CC=C1)C(F)(F)F>CC#N.C1(=CC=NC=C1)N(C)C>CC1CCN(C2=NC(=CC=C12)C1=CC(=CC=C1)C(F)(F)F)C(=O)NC1=NC=CC=C1 | 3 |
NC1=NC2=CC(=CC(=C2C=C1Cl)F)CC[C@]1(C[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C=CC1=C2N=CN=C1Cl)C#N>O1CCOCC1.N.C(O)([O-])=O.[Na+]>NC1=NC2=CC(=CC(=C2C=C1Cl)F)CC[C@]1(C[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C=CC1=C2N=CN=C1N)C#N | 3 |
C(CCC)[Sn](CCCC)(CCCC)C1=CC=CC=C1.COC(C1=C(C=CC(=C1)S(=O)(=O)C)I)=O>[Cu]I.N(C)(C)C=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=CC=C1)[As](C1=CC=CC=C1)C1=CC=CC=C1>COC(=O)C=1C(=CC=C(C1)S(=O)(=O)C)C1=CC=CC=C1 | 3 |
F[C:2](F)(F)[C:3](O)=O.Br[C:9]1[N:14]=[C:13]2[N:15]([CH2:19][C:20]([N:22]3[CH2:27][CH2:26][O:25][CH2:24][CH2:23]3)=[O:21])[C:16](=[O:18])[NH:17][C:12]2=[N:11][CH:10]=1.BrC1[N:34]=[C:33]2[N:35](CC(O)=O)[C:36](=O)[NH:37]C2=NC=1.C(N1[CH:54]=[CH:53]N=C1)(N1C=CN=C1)=O.N1CCO[CH2:57][CH2:56]1>CN(C=O)C.C(Cl)Cl>[N:37]1[N:34]=[C:33]([C:3]2[CH:2]=[CH:54][C:53]([C:9]3[N:14]=[C:13]4[N:15]([CH2:19][C:20]([N:22]5[CH2:27][CH2:26][O:25][CH2:24][CH2:23]5)=[O:21])[C:16](=[O:18])[NH:17][C:12]4=[N:11][CH:10]=3)=[CH:57][CH:56]=2)[NH:35][CH:36]=1 | 1 |
C(C=C)(=O)OCC.FC(C1=CC=CC(=N1)N1CC(NCC1)C(=O)OCC)(F)F>CCO[H].C(C)(C)N(C(C)C)CC>C(C)OC(CCN1C(CN(CC1)C1=NC(=CC=C1)C(F)(F)F)C(=O)OCC)=O | 3 |
[H-].[Na+].[Br:3][C:4]1[C:8]2[N:9]=[C:10]([Cl:13])[N:11]=[CH:12][C:7]=2[NH:6][CH:5]=1.Cl[C:15]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1>C1COCC1>[Br:3][C:4]1[C:8]2[N:9]=[C:10]([Cl:13])[N:11]=[CH:12][C:7]=2[N:6]([C:15]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([C:28]2[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=2)[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=2)[CH:5]=1 | 1 |
[CH3:1][CH:2]([C:4]1[CH2:13][CH2:12][C@H:11]2[C:6](=[CH:7][CH2:8][C@H:9]3[C@@:17]([C:19]([OH:21])=[O:20])([CH3:18])[CH2:16][CH2:15][CH2:14][C@@:10]32[CH3:22])[CH:5]=1)[CH3:3].CC(C1C=C(NC(NC2C=CC(OCC(O)CNC(C)(C)C)=C(C(C)=O)C=2)=O)C=CC=1OCC(O)CNC(C)(C)C)=O.[H][H]>[Ni].C1CCCCC1>[CH3:3][CH:2]([CH:4]1[CH2:5][CH:6]2[CH2:7][CH2:8][CH:9]3[C:17]([C:19]([OH:21])=[O:20])([CH3:18])[CH2:16][CH2:15][CH2:14][C:10]3([CH3:22])[CH:11]2[CH2:12][CH2:13]1)[CH3:1] | 2 |
NOS(=O)(=O)O.CC1=C(OC=2C=CC(=NC2)N)C=CC(=C1)[N+](=O)[O-]>CO[H].c1ccncc1.CCO[H].COC(N(C)C)OC>CC1=C(OC=2C=CC=3N(C2)N=CN3)C=CC(=C1)[N+](=O)[O-] | 3 |
N1N=CC(=C1)N.FC1=C(C(=CC=C1)F)N=O>ClCCl.C(C)(=O)O>FC1=C(C(=CC=C1)F)/N=N/C=1C=NNC1 | 3 |
N1CC(C1)C(=O)O.O=C(C=CC1=CC=C(C=O)C=C1)C1=C2C[C@@H]3[C@H](C2=C(S1)C)C3(C)C>>O=C(CCC1=CC=C(CN2CC(C2)C(=O)O)C=C1)C1=C2C[C@@H]3[C@H](C2=C(S1)C)C3(C)C | 5 |
CN1C=NC2=C1C=C(C=C2)N.C(C)(=O)N1C(C(C2=CC=CC=C12)=C(C1=CC=CC=C1)OCC)=O>N(C)(C)C=O.CO[H].[OH-].[Na+]>CN1C=NC2=C1C=C(C=C2)N\C(\C2=CC=CC=C2)=C\2/C(NC1=CC=CC=C21)=O | 3 |
[C:1]([O:5][C@@H:6]([C:12]1[C:31]([CH3:32])=[CH:30][C:15]2[N:16]=[C:17]([C:19]3[CH:24]=[CH:23][C:22]([NH:25][CH3:26])=[C:21]([N+:27]([O-])=O)[CH:20]=3)[S:18][C:14]=2[C:13]=1[C:33]1[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][CH:34]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8])([CH3:4])([CH3:3])[CH3:2]>CCO.CCOC(C)=O.[Pt]>[NH2:27][C:21]1[CH:20]=[C:19]([C:17]2[S:18][C:14]3[C:13]([C:33]4[CH:34]=[CH:35][C:36]([Cl:39])=[CH:37][CH:38]=4)=[C:12]([C@H:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])[C:7]([O:9][CH2:10][CH3:11])=[O:8])[C:31]([CH3:32])=[CH:30][C:15]=3[N:16]=2)[CH:24]=[CH:23][C:22]=1[NH:25][CH3:26] | 1 |
[CH:1]([C:3]1[C:4]([NH:15][CH2:16][CH2:17][NH:18][C:19](=[O:21])[CH3:20])=[N:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([O:13][CH3:14])=[CH:8][CH:7]=2)=[O:2]>C1COCC1>[OH:2][CH2:1][C:3]1[C:4]([NH:15][CH2:16][CH2:17][CH2:20][C:19]([NH2:18])=[O:21])=[N:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([O:13][CH3:14])=[CH:8][CH:7]=2.[OH:2][CH2:1][C:3]1[C:4]([NH:15][CH2:16][CH2:17][NH:18][C:19](=[O:21])[CH3:20])=[N:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([O:13][CH3:14])=[CH:8][CH:7]=2 | 2 |
FC=1C=NN(C1)C1=CC=C(C=N1)[C@H](C)N(C1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C)C.BrC=1C=2N(C=C(C1)OCC(F)F)N=CC2C#N>O.C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC=1C=NN(C1)C1=CC=C(C=N1)[C@H](C)N(C1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC(F)F)N=CC2C#N)C | 3 |
ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)O.NCC=1C=C(C=CC1)C1CCN(CC1)C(C[C@H]1C=2N(C3=C(C(=N1)C1=CC=C(C=C1)Cl)C=C(C=C3)OC)C(=NN2)C)=O>>ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)NCC2=CC(=CC=C2)C2CCN(CC2)C(C[C@H]2C=3N(C1=C(C(=N2)C2=CC=C(C=C2)Cl)C=C(C=C1)OC)C(=NN3)C)=O | 5 |
[CH3:1][C:2]([C:5]1[CH:6]=[C:7]([NH:16][C:17]([NH:19][CH2:20][C:21]2[CH:26]=[CH:25][C:24]([N+:27]([O-])=O)=[CH:23][CH:22]=2)=[O:18])[CH:8]=[C:9]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:10]=1[OH:11])([CH3:4])[CH3:3]>C(O)C.C(OCC)(=O)C.[Pd]>[NH2:27][C:24]1[CH:25]=[CH:26][C:21]([CH2:20][NH:19][C:17]([NH:16][C:7]2[CH:6]=[C:5]([C:2]([CH3:1])([CH3:3])[CH3:4])[C:10]([OH:11])=[C:9]([C:12]([CH3:15])([CH3:14])[CH3:13])[CH:8]=2)=[O:18])=[CH:22][CH:23]=1 | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]2[C:14](=[CH:15][CH:16]=1)[NH:13][C:12]1[C:11](=[O:17])[CH2:10][CH2:9][CH2:8][C:7]2=1)([O-:3])=[O:2].C(O[CH:21](OCC)[N:22]([CH3:24])[CH3:23])C>>[CH3:21][N:22]([CH:24]=[C:10]1[CH2:9][CH2:8][C:7]2[C:6]3[C:14](=[CH:15][CH:16]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=3)[NH:13][C:12]=2[C:11]1=[O:17])[CH3:23] | 2 |
[F:1][C:2]([F:6])([F:5])[CH2:3][OH:4].C1C(=O)N(OC(ON2C(=O)CCC2=O)=O)C(=O)C1.FC(F)(F)[C:27]([O-:29])=O.[C:32]([CH:34]=[C:35]1[CH2:40][CH2:39][NH2+:38][CH2:37][CH2:36]1)#[N:33]>CC#N.CS(C)=O.CCOC(C)=O>[C:32]([CH:34]=[C:35]1[CH2:40][CH2:39][N:38]([C:27]([O:4][CH2:3][C:2]([F:6])([F:5])[F:1])=[O:29])[CH2:37][CH2:36]1)#[N:33] | 1 |
[CH:1]([O:4][C:5]1[C:14]2[C:9](=[CH:10][C:11]([C:15]([OH:17])=O)=[CH:12][CH:13]=2)[CH:8]=[C:7]([NH:18][C:19]2[CH:23]=[C:22]([CH3:24])[NH:21][N:20]=2)[N:6]=1)([CH3:3])[CH3:2].[CH3:25][NH:26][CH2:27][CH2:28][N:29]1[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1>>[CH3:25][N:26]([CH2:27][CH2:28][N:29]1[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1)[C:15]([C:11]1[CH:10]=[C:9]2[C:14](=[CH:13][CH:12]=1)[C:5]([O:4][CH:1]([CH3:2])[CH3:3])=[N:6][C:7]([NH:18][C:19]1[CH:23]=[C:22]([CH3:24])[NH:21][N:20]=1)=[CH:8]2)=[O:17] | 1 |
BrC1=CC2=C(C(CO2)N)C=C1>ClCCl.C(C)(=O)OC(C)=O.C(C)(C)N(C(C)C)CC>BrC1=CC2=C(C(CO2)NC(C)=O)C=C1 | 3 |
CN(C)P(=O)(N(C)C)N(C)C.Br[C:13]1[C:14](=[O:24])[O:15][C:16]2[C:21]([C:22]=1[OH:23])=[CH:20][CH:19]=[CH:18][CH:17]=2.[C:25]1([S:31][Si](C)(C)C)[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>C(#N)C>[C:25]1([S:31][C:13]2[C:14](=[O:24])[O:15][C:16]3[C:21]([C:22]=2[OH:23])=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1 | 1 |
[H-].C(C)(C)[Al+]C(C)C.C(C1=CC=CC=C1)(=O)O[C@H]1CC(=O)OC1>>C(C1=CC=CC=C1)(=O)O[C@@H](CC=O)CO | 5 |
[C:1]1([CH3:18])[CH:6]=[CH:5][CH:4]=[C:3]([N:7]2[C:11]3[CH:12]=[C:13]([C:16]#[N:17])[CH:14]=[CH:15][C:10]=3[N:9]=[CH:8]2)[CH:2]=1.[I:19][CH3:20]>CC#N>[I-:19].[C:16]([C:13]1[CH:14]=[CH:15][C:10]2[N+:9]([CH3:20])=[CH:8][N:7]([C:3]3[CH:2]=[C:1]([CH3:18])[CH:6]=[CH:5][CH:4]=3)[C:11]=2[CH:12]=1)#[N:17] | 2 |
Cl.[CH3:2][O:3][C:4]([CH2:6][CH2:7][NH:8][C:9](=[O:29])[C:10]1[CH:15]=[CH:14][C:13]([NH:16][CH2:17]CCN2CCSCC2)=[C:12]([N+:26]([O-:28])=[O:27])[CH:11]=1)=[O:5].C(O[CH2:34][CH3:35])(=O)C.[CH2:36](O)C>>[CH3:2][O:3][C:4]([CH:6]1[CH2:35][CH2:34][CH2:36][N:8]([C:9](=[O:29])[C:10]2[CH:15]=[CH:14][C:13]([NH:16][CH3:17])=[C:12]([N+:26]([O-:28])=[O:27])[CH:11]=2)[CH2:7]1)=[O:5] | 1 |
[N:1]12[CH2:8][CH2:7][CH:4]([CH2:5][CH2:6]1)[CH:3]([CH2:9][C:10]1[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=1[S:17]([Cl:20])(=[O:19])=[O:18])[CH2:2]2.C(N1CCC[C@@H]1CCC1C=CC=C(F)C=1)C>>[CH2:8]([N:1]1[CH2:6][CH2:5][CH2:4][C@@H:2]1[CH2:3][CH2:9][C:10]1[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=1[S:17]([Cl:20])(=[O:18])=[O:19])[CH3:7] | 2 |
[OH:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1[C:7]([OH:9])=O.CN(C(ON1N=[N:25][C:20]2[CH:21]=[CH:22]C=N[C:19]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH2:34](N(CC)CC)C>CN(C=O)C>[CH3:19][C:20]([NH:25][C:7]([C:3]1[S:4][CH:5]=[CH:6][C:2]=1[OH:1])=[O:9])([CH3:34])[C:21]#[CH:22] | 2 |
[N+](=O)([O-])C1=CC=C(C=C1)C(=O)N1CCCC1>CCO[H].[HH].[Pd]>NC1=CC=C(C(=O)N2CCCC2)C=C1 | 3 |
[CH2:1]([O:3][C@@H:4]([CH2:10][C:11]1[CH:16]=[CH:15][C:14]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([S:25]([CH3:28])(=[O:27])=[O:26])=[CH:21][CH:20]=2)=[CH:13][CH:12]=1)[C:5]([O:7]CC)=[O:6])[CH3:2].[OH-].[Na+]>C(O)C.O>[CH2:1]([O:3][C@@H:4]([CH2:10][C:11]1[CH:16]=[CH:15][C:14]([O:17][CH2:18][C:19]2[CH:20]=[CH:21][C:22]([S:25]([CH3:28])(=[O:26])=[O:27])=[CH:23][CH:24]=2)=[CH:13][CH:12]=1)[C:5]([OH:7])=[O:6])[CH3:2] | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][C:3]=1[OH:9].C([O-])([O-])=O.[K+].[K+].Cl[CH2:17][C:18](Cl)=[O:19]>[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-].C(#N)C>[CH3:8][C:5]1[CH:6]=[CH:7][C:2]2[NH:1][C:18](=[O:19])[CH2:17][O:9][C:3]=2[CH:4]=1 | 1 |
C(C1=CC=CC=C1)OC=1C(=C(C=CC1OC)CCN)F.COC1=CC(=C(C(=O)O)C=C1OC)C>N(C)(C)C=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>C(C1=CC=CC=C1)OC=1C(=C(C=CC1OC)CCNC(C=CC1=CC2=C(OCO2)C=C1C)=O)F | 3 |
[CH2:1]([O:7][CH2:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)[CH2:2][CH2:3][CH2:4][CH:5]=[CH2:6].Br[C:16]1[CH:21]=[CH:20][C:19]([N+:22]([O-:24])=[O:23])=[CH:18][CH:17]=1>>[CH:9]1([CH2:8][O:7][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:16]2[CH:21]=[CH:20][C:19]([N+:22]([O-:24])=[O:23])=[CH:18][CH:17]=2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1 | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][CH:3]=1.[Mg].[CH2:13]([O:20][C:21]([N:23]1[CH2:28][CH2:27][C:26](=[O:29])[CH2:25][CH2:24]1)=[O:22])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>CCOCC>[CH2:13]([O:20][C:21]([N:23]1[CH2:28][CH2:27][C:26]([OH:29])([C:2]2[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][CH:3]=2)[CH2:25][CH2:24]1)=[O:22])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH:6]1[CH2:11][C:10](=O)[CH2:9][C:8](=[O:13])[CH2:7]1.Cl.[NH2:15][CH2:16][C:17]#[C:18][CH3:19].O1CCCC1>C(N(CC)CC)C>[CH3:19][C:18]1[C:9]2[C:8](=[O:13])[CH2:7][CH:6]([C:2]3[S:1][CH:5]=[CH:4][CH:3]=3)[CH2:11][C:10]=2[N:15]=[CH:16][CH:17]=1 | 1 |
NC[C@H](C)O.ClC1=NC(=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=C1)C>>ClC1=C(C=C(C=C1)NC(C1=C(N=C(C=C1)NC[C@H](C)O)C)=O)C1=NC=CC=C1 | 5 |
C(=O)(O)C1=CC=C(C=O)C=C1.CC1([C@@H]2[C@H]1CC1=C(SC(=C21)C)C(C)=O)C>>O=C(C=CC1=CC=C(C(=O)O)C=C1)C1=C2C[C@@H]3[C@H](C2=C(S1)C)C3(C)C | 5 |
B([O-])([O-])O[C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([CH3:9])[CH:4]=1.Cl[C:13]1[C:22]([CH3:23])=[CH:21][C:20]2[C:15](=[CH:16][CH:17]=[C:18]([CH3:24])[CH:19]=2)[N:14]=1.C(=O)([O-])[O-].[K+].[K+]>C1COCC1.O.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Pd]>[CH3:9][C:5]1[CH:4]=[C:3]([C:13]2[C:22]([CH3:23])=[CH:21][C:20]3[C:15](=[CH:16][CH:17]=[C:18]([CH3:24])[CH:19]=3)[N:14]=2)[CH:8]=[CH:7][CH:6]=1 | 1 |
CC1C=CC(S(O[CH2:12][CH:13]2[CH2:17][C:16]3[CH:18]=[C:19]([Cl:30])[CH:20]=[C:21](OS(C(F)(F)F)(=O)=O)[C:15]=3[O:14]2)(=O)=O)=CC=1.[CH3:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].C(C1C=CC=CC=1B1OC(C)(C)C(C)(C)O1)(C)C.CC1C=CC(S(OCC2CC3C=C(Cl)C=C(C4C=CC=CC=4C)C=3O2)(=O)=O)=CC=1.S(C1C=CC(C)=CC=1)([O-])(=O)=O.[N-:105]=[N+]=[N-].[Na+].N(CC1CC2C=C(Cl)C=C(C3C=CC=CC=3C)C=2O1)=[N+]=[N-].[N-]=[N+]=[N-]>C1C=CC([PH+]([C]2[CH][CH][CH][CH]2)C2C=CC=CC=2)=CC=1.C1C=CC([PH+]([C]2[CH][CH][CH][CH]2)C2C=CC=CC=2)=CC=1.C(Cl)Cl.Cl[Pd]Cl.[Fe].[Pt]>[Cl:30][C:19]1[CH:20]=[C:21]([C:33]2[CH:34]=[CH:35][CH:36]=[CH:37][C:32]=2[CH3:31])[C:15]2[O:14][CH:13]([CH2:12][NH2:105])[CH2:17][C:16]=2[CH:18]=1 | 1 |
CI.C(=O)(O)C1=C(C=O)C=CC=C1>C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC(C1=C(C=CC=C1)C=O)=O | 3 |
CC1=CC=C(C=C1)B(O)O.C(C)NC(C1=CC(=C(C(=C1)C1=CC=C2C(=NNC2=C1)I)C)F)=O>>C(C)NC(C1=CC(=C(C(=C1)C1=CC=C2C(=NNC2=C1)C1=CC=C(C=C1)C)C)F)=O | 5 |
[Mg].Br[C:3]1[CH:8]=[CH:7][C:6]([F:9])=[CH:5][CH:4]=1.[CH3:10][O:11][CH2:12][C:13]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:14].[Cl-].[NH4+]>O1CCCC1>[F:9][C:6]1[CH:7]=[CH:8][C:3]([C:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)([OH:14])[CH2:12][O:11][CH3:10])=[CH:4][CH:5]=1 | 1 |
C(C)(C)I.ClC1=CC=C(C(N1)=O)[N+](=O)[O-]>>ClC1=CC=C(C(=N1)OC(C)C)[N+](=O)[O-] | 5 |
NCC1(COC1)O.FC=1C(=CC(=NC1)OC)C1=CC(=NN1)C(=O)N1C2(CC2)C[C@H](CC1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC=1C(=CC(=NC1)OC)C1=NNC(=C1)C(=O)N1C2(CC2)C[C@H](CC1)C(=O)NCC1(COC1)O | 3 |
C(C)OC(CN1N=C(CC1C1=CC=C(C=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)C1=CC=C(C=C1)OC)=O>>C1=CC=C(C=2OC3=C(C21)C=CC=C3)C3=CC=C(C=C3)C3CC(=NN3CC(=O)O)C3=CC=C(C=C3)OC | 5 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[O:16][C:17]3[C:23]([N+:24]([O-:26])=[O:25])=[CH:22][CH:21]=[CH:20][C:18]=3[N:19]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[N+:24]([C:23]1[C:17]2[O:16][C:15]([NH:14][CH:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)=[N:19][C:18]=2[CH:20]=[CH:21][CH:22]=1)([O-:26])=[O:25] | 2 |
CN[C@H]([C@@H](O)C1=CC=CC=C1)C.BrC1=CC2=C(OCC2)C(=C1)C=O>C1=CC=CC=C1>BrC=1C=C(C2=C(CCO2)C1)C1O[C@H]([C@@H](N1C)C)C1=CC=CC=C1 | 3 |
[OH:1][C@H:2]([C:17]1[S:18][C:19]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[CH:20][CH:21]=1)[C@@H:3]1[N:7]([CH3:8])[C:6](=[O:9])[CH2:5][C@@H:4]1[C:10]1[CH:15]=[CH:14][C:13](I)=[CH:12][CH:11]=1.[F:28][C:29]1[CH:34]=[CH:33][C:32](B(O)O)=[CH:31][CH:30]=1.COCCOC.C([O-])([O-])=O.[Na+].[Na+]>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>[OH:1][C@H:2]([C:17]1[S:18][C:19]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[CH:20][CH:21]=1)[C@@H:3]1[N:7]([CH3:8])[C:6](=[O:9])[CH2:5][C@@H:4]1[C:10]1[CH:15]=[CH:14][C:13]([C:32]2[CH:33]=[CH:34][C:29]([F:28])=[CH:30][CH:31]=2)=[CH:12][CH:11]=1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:18]3[CH:23]=[CH:22][C:21]([F:24])=[CH:20][CH:19]=3)[CH2:12][CH2:11][N:10]([CH2:13][C:14](O)=[O:15])[C:9]2=[O:17])=[CH:4][CH:3]=1.FC1C=CC(C2(C3C=CC(F)=CC=3)CCCN(CC(O)=O)C2=O)=CC=1.[F:50][C:51]([F:63])([F:62])[C:52]1[CH:61]=[C:60]2[C:55]([CH2:56][CH2:57][NH:58][CH2:59]2)=[CH:54][CH:53]=1.C1(C2(C3C=CC=CC=3)CCNC2)C=CC=CC=1>>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2([C:18]3[CH:19]=[CH:20][C:21]([F:24])=[CH:22][CH:23]=3)[CH2:12][CH2:11][N:10]([CH2:13][C:14](=[O:15])[N:58]3[CH2:57][CH2:56][C:55]4[C:60](=[CH:61][C:52]([C:51]([F:50])([F:63])[F:62])=[CH:53][CH:54]=4)[CH2:59]3)[C:9]2=[O:17])=[CH:6][CH:7]=1 | 1 |
C(Cl)(=O)C(Cl)=O.[F:7][C:8]([F:46])([F:45])[C:9]1[CH:10]=[C:11]([CH:38]=[C:39]([C:41]([F:44])([F:43])[F:42])[CH:40]=1)[CH2:12][N:13]([CH3:37])[C:14](=[O:36])[C:15]1[C:20]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2[CH3:27])=[CH:19][C:18]([CH:28]([OH:35])[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[N:17][CH:16]=1.C(N(CC)CC)C>ClCCl>[C:28]([C:18]1[CH:19]=[C:20]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2[CH3:27])[C:15]([C:14]([N:13]([CH2:12][C:11]2[CH:10]=[C:9]([C:8]([F:45])([F:7])[F:46])[CH:40]=[C:39]([C:41]([F:43])([F:44])[F:42])[CH:38]=2)[CH3:37])=[O:36])=[CH:16][N:17]=1)(=[O:35])[C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1 | 1 |
NO.O=C1N(CCN1)CCOC1=C(C=O)C=CC=C1>O.CCO[H]>O=C1N(CCN1)CCOC1=C(C=NO)C=CC=C1 | 3 |
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