smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC1=CC(=NC(=C1)C=1C=NNC1)NC1=NC=CC(=C1)C(F)(F)F.ClCC1(OC1)CC>N(C)(C)C=O.[H-].[Na+]>CC1=CC(=NC(=C1)C=1C=NN(C1)CC1(OC1)C)NC1=NC=CC(=C1)C(F)(F)F | 3 |
[Cl:1][C:2]1[C:3]2[C:4]3[C:8](=[C:9]([Cl:11])[CH:10]=1)[N:7]=[C:6](S)[C:5]=3[CH:13]=[CH:14][CH:15]=2.[N:16]1([CH2:21][CH2:22][CH2:23][NH2:24])[CH:20]=[CH:19][N:18]=[CH:17]1>CN(C)C=O>[Cl:1][C:2]1[C:3]2[C:4]3[C:8](=[C:9]([Cl:11])[CH:10]=1)[N:7]=[C:6]([NH:24][CH2:23][CH2:22][CH2:21][N:16]1[CH:20]=[CH:19][N:18]=[CH:17]1)[C:5]=3[CH:13]=[CH:14][CH:15]=2 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9]=[C:8]([CH2:13][CH2:14][NH2:15])[CH:7]=[CH:6]2.C(N(CC)CC)C.[CH:23]([S:26](Cl)(=[O:28])=[O:27])([CH3:25])[CH3:24]>C1COCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9]=[C:8]([CH2:13][CH2:14][NH:15][S:26]([CH:23]([CH3:25])[CH3:24])(=[O:28])=[O:27])[CH:7]=[CH:6]2 | 2 |
ClCC#N.[N+](=[N-])=CC(C(C)(C)C)=O>B(F)(F)F.CCOCC>C(C)(C)(C)C1=CN=C(O1)CCl | 3 |
NC1=[N+](C=C(C=C1)C(F)(F)F)[O-].ClC1=C(C(=CC=C1)F)NC1=NC2=C(N1C)C=1CC(OC1C(=C2)C(=O)O)(C)C>C1CCCO1.ClS(Cl)=O.C(C)(C)N(C(C)C)CC>ClC1=C(C(=CC=C1)F)NC1=NC2=C(N1C)C=1CC(OC1C(=C2)C(=O)NC2=[N+](C=C(C=C2)C(F)(F)F)[O-])(C)C | 3 |
CC1([C@@H]([C@@H]1C=C)CO)C>ClCCl>CC1([C@@H]([C@@H]1C=C)C=O)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([OH:10])[CH:5]=[C:6]([Cl:9])[C:7]=1[Cl:8].[CH2:11](Br)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([O:10][CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:5]=[C:6]([Cl:9])[C:7]=1[Cl:8] | 1 |
FC(F)(F)C(O)=O.[NH2:8][CH2:9][CH2:10][C:11]1[N:16]=[C:15]([C:17]2[S:18][C:19]3[CH:27]=[CH:26][CH:25]=[CH:24][C:20]=3[C:21](=[O:23])[N:22]=2)[CH:14]=[CH:13][CH:12]=1.[C:28](Cl)(=[O:35])[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.C(=O)([O-])[O-].[K+].[K+].C(OCC)(=O)C>CN(C)C(=O)C.O>[O:23]=[C:21]1[C:20]2[CH:24]=[CH:25][CH:26]=[CH:27][C:19]=2[S:18][C:17]([C:15]2[N:16]=[C:11]([CH2:10][CH2:9][NH:8][C:28](=[O:35])[C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[CH:12]=[CH:13][CH:14]=2)=[N:22]1 | 1 |
C1C2C=CCCCC=2C=CC=1.[Cl:12][C:13]1[CH:14]=[C:15]([CH:20]=[CH:21][CH:22]=1)[C:16]([O:18]O)=[O:17]>C(Cl)Cl>[Cl:12][C:13]1[CH:14]=[C:15]([CH:20]=[CH:21][CH:22]=1)[C:16]([OH:18])=[O:17] | 1 |
[C:1]([C:4]12[CH2:11][CH2:10][C:7]([NH:12][CH2:13][C:14]([N:16]3[CH2:20][C@@H:19]([F:21])[CH2:18][C@H:17]3[C:22]#[N:23])=[O:15])([CH2:8][CH2:9]1)[CH2:6][CH2:5]2)(O)=[O:2].[NH2:24][C:25]1[CH:30]=[CH:29][C:28]([CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])=[CH:27][CH:26]=1>>[CH2:35]([O:34][C:32]([CH2:31][C:28]1[CH:27]=[CH:26][C:25]([NH:24][C:1]([C:4]23[CH2:11][CH2:10][C:7]([NH:12][CH2:13][C:14]([N:16]4[CH2:20][C@@H:19]([F:21])[CH2:18][C@H:17]4[C:22]#[N:23])=[O:15])([CH2:8][CH2:9]2)[CH2:6][CH2:5]3)=[O:2])=[CH:30][CH:29]=1)=[O:33])[CH3:36] | 1 |
CS[C:3]1[S:4]/[C:5](=[CH:9]\[C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]=[CH:15][CH:14]=[CH:13]3)/[C:6](=[O:8])[N:7]=1.[CH:20]1[C:25]([C@@H:26]([NH2:29])[CH2:27][OH:28])=[CH:24][CH:23]=[C:22]([F:30])[CH:21]=1.CCN(C(C)C)C(C)C>>[F:30][C:22]1[CH:21]=[CH:20][C:25]([C@@H:26]([NH:29][C:3]2[S:4]/[C:5](=[CH:9]\[C:10]3[CH:11]=[C:12]4[C:17](=[CH:18][CH:19]=3)[N:16]=[CH:15][CH:14]=[CH:13]4)/[C:6](=[O:8])[N:7]=2)[CH2:27][OH:28])=[CH:24][CH:23]=1 | 1 |
[CH3:1][O:2][C:3]1[C:12]([O:13][CH3:14])=[N:11][C:10]2[C:5](=[CH:6][C:7]([F:16])=[CH:8][C:9]=2[CH3:15])[N:4]=1.[Br:17]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl>[Br:17][CH2:15][C:9]1[CH:8]=[C:7]([F:16])[CH:6]=[C:5]2[C:10]=1[N:11]=[C:12]([O:13][CH3:14])[C:3]([O:2][CH3:1])=[N:4]2 | 1 |
C(C)(=O)OC1=CC(=CC=C1)COC1=CC(=CC=C1)C(=O)N>>OC=1C=C(COC=2C=C(C=CC2)C(=O)N)C=CC1 | 5 |
Cl.O[CH2:3][C:4]1[C:13]2[CH2:12][CH2:11][CH2:10][CH2:9][C:8]=2[CH:7]=[CH:6][N:5]=1.S(Cl)([Cl:16])=O>C(Cl)(Cl)Cl>[Cl:16][CH2:3][C:4]1[C:13]2[CH2:12][CH2:11][CH2:10][CH2:9][C:8]=2[CH:7]=[CH:6][N:5]=1 | 1 |
C(C=C)[Sn](CCCC)(CCCC)CCCC.BrC1=CC2=C(N(C3=C(N(C2=O)C)C=CC(=N3)Cl)CC)N=C1>>ClC=1C=CC=2N(C(C3=C(N(C2N1)CC)N=CC(=C3)CC=C)=O)C | 5 |
C1COCCN1.C(C#C)O.IC1=CC(=CC=C1)OC(F)(F)F>[Cu]I.C1(=CC=CC=C1)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2]>FC(OC=1C=C(C=CC1)C#CCO)(F)F | 3 |
[NH2:1][C:2]1[N:3]=[CH:4][C:5]([C:17]2[CH2:22][CH2:21][N:20]([S:23]([CH2:26][CH2:27][N:28]3C(=O)C4C(=CC=CC=4)C3=O)(=[O:25])=[O:24])[CH2:19][CH:18]=2)=[N:6][C:7]=1[C:8]1[NH:12][C:11]2[CH:13]=[CH:14][CH:15]=[CH:16][C:10]=2[N:9]=1.NN>C(O)C.CS(C)=O>[NH2:28][CH2:27][CH2:26][S:23]([N:20]1[CH2:19][CH:18]=[C:17]([C:5]2[N:6]=[C:7]([C:8]3[NH:12][C:11]4[CH:13]=[CH:14][CH:15]=[CH:16][C:10]=4[N:9]=3)[C:2]([NH2:1])=[N:3][CH:4]=2)[CH2:22][CH2:21]1)(=[O:25])=[O:24] | 1 |
[CH2:1]([N:4]1[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5]1)[CH:2]=[CH2:3].[CH2:11]([Br:14])[CH:12]=[CH2:13]>C(OCC)C>[Br-:14].[CH2:1]([N+:4]1([CH2:13][CH:12]=[CH2:11])[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5]1)[CH:2]=[CH2:3] | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.Cl.NCC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O>>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)CNC(=O)N1CCCCC1)=O)=O | 5 |
[F:1][C:2]1[C:12]2[N:11]3[C:13]([CH3:16])=[N:14][N:15]=[C:10]3[CH2:9][CH2:8][NH:7][C:6]=2[CH:5]=[CH:4][CH:3]=1.[Cl:17][C:18]1[CH:23]=[CH:22][C:21](I)=[CH:20][CH:19]=1.CC(OC1C=CC=C(OC(C)C)C=1C1C(P(C2CCCCC2)C2CCCCC2)=CC=CC=1)C.CC([O-])(C)C.[Na+]>>[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([N:7]2[CH2:8][CH2:9][C:10]3=[N:15][N:14]=[C:13]([CH3:16])[N:11]3[C:12]3[C:2]([F:1])=[CH:3][CH:4]=[CH:5][C:6]2=3)=[CH:20][CH:19]=1 | 1 |
Br[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[N:4][CH:3]=1.[C:12]([O:16][C:17]([NH:19][C:20]1[CH:25]=[CH:24][C:23](B(O)O)=[CH:22][CH:21]=1)=[O:18])([CH3:15])([CH3:14])[CH3:13].CC1C=CN=CC=1C1C=CC=C2C=1C=NN2>>[CH:5]1[C:6]2[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=2)[C:2]([C:23]2[CH:22]=[CH:21][C:20]([NH:19][C:17](=[O:18])[O:16][C:12]([CH3:14])([CH3:13])[CH3:15])=[CH:25][CH:24]=2)=[CH:3][N:4]=1 | 1 |
[O:1]=[C:2]1[CH2:8][CH:7]2[N:9]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:4]([CH2:5][CH2:6]2)[CH2:3]1.C[Si]([Cl:21])(C)C.ClN1C(=O)C(=O)C(=O)N(Cl)N1Cl.C1(N(Cl)C(=O)N(Cl)C(=O)N1Cl)=O>>[Cl:21][CH:8]1[C:2](=[O:1])[CH2:3][CH:4]2[N:9]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:7]1[CH2:6][CH2:5]2 | 2 |
FC1=C(C=CC(=C1)F)C1=CC(=NO1)C(=O)NC1(CN(C1)C1CCC(CC1)(C)O)CC(=O)O.FC(OC=1C=C(C=CC1)C(C)(C)N)(F)F>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>FC1=C(C=CC(=C1)F)C1=CC(=NO1)C(=O)NC1(CN(C1)C1CCC(CC1)(C)O)CC(NC(C)(C)C1=CC(=CC=C1)OC(F)(F)F)=O | 3 |
C(C)(C)(C)OC(=O)N(C=1C(=C(C=CC1[N+](=O)[O-])C(C(=O)OCC)C1=CC=NC=C1)F)C(=O)OC(C)(C)C>CC#N.N(C)(C)C=O.CO[H].C(C)(=O)OC(C)=O.O.NN.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>FC1=C(C(=CC=C1C(C1=CC=NC=C1)C=1OC(=NN1)C)[N+](=O)[O-])NC(OC(C)(C)C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][NH:6][C:7]([C:9]1[CH:17]=[C:16]2[C:12]([CH:13]=[N:14][NH:15]2)=[CH:11][CH:10]=1)=[O:8].Cl[CH2:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=1.N1C2C(=CC=CC=2)C=N1>>[Cl:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][NH:6][C:7]([C:9]1[CH:10]=[CH:11][C:12]2[C:16]([CH:17]=1)=[N:15][N:14]([CH2:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=1)[CH:13]=2)=[O:8] | 2 |
[CH2:1]([C:5]1[N:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3[C:18]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])=[CH:19][CH:20]=[CH:21][CH:22]=3)=[CH:13][CH:12]=2)[C:8]2[CH:30]=[CH:31][C:32](O)=[CH:33][C:7]=2[N:6]=1)[CH2:2][CH2:3][CH3:4].CC(CC)=[O:37].C1(C)C(C)=CC=CC=1>>[CH2:1]([C:5]1[N:9]([CH2:10][C:11]2[CH:12]=[CH:13][C:14]([C:17]3[C:18]([C:23]([O:25][C:26]([CH3:27])([CH3:29])[CH3:28])=[O:24])=[CH:19][CH:20]=[CH:21][CH:22]=3)=[CH:15][CH:16]=2)[C:8]2[CH:30]=[CH:31][CH:32]=[C:33]([OH:37])[C:7]=2[N:6]=1)[CH2:2][CH2:3][CH3:4] | 1 |
C(C)(C)OB(OC(C)C)OC(C)C.CC(CO)(CO)C.BrC=1C=CC(=NC1)CNC(OC(C)(C)C)=O>C1CCCO1.C(CCC)[Li]>CC1(COB(OC1)C=1C=CC(=NC1)CNC(OC(C)(C)C)=O)C | 3 |
Cl.N1(CCNCC1)C(=O)OC(C(F)(F)F)C(F)(F)F.ClC=1C=CC(=C(C1)N1CC2C(C1)CN(C2)C(=O)OC(C)(C)C)C=O>>ClC=1C=CC(=C(C1)N1CC2C(C1)CN(C2)C(=O)OC(C)(C)C)CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F | 5 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[O:8][CH3:9].C1C=C(Cl)C=C(C(OO)=[O:18])C=1>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[N+:4]([O-:18])[CH:5]=[CH:6][C:7]=1[O:8][CH3:9] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH2:10])[C:5]([NH:8][CH3:9])=[CH:6][CH:7]=1.[C:11]([OH:15])(=O)[CH2:12]O>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]2[N:8]([CH3:9])[C:12]([CH2:11][OH:15])=[N:10][C:4]=2[CH:3]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C=CC=C1[N+](=O)[O-])C=C[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)O>[HH].C(C)(=O)OCC.[Pd]>NC=1C(=C(C=CC1)CC[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)O)O | 3 |
[H-].[Na+].[CH2:3](P(=O)(OCC)OCC)[P:4](=[O:11])([O:8]CC)[O:5]CC.O>CC1C=CC=CC=1>[PH:4](=[O:5])([O-:11])[O-:8].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[C+4:3].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8].[PH:4](=[O:5])([O-:11])[O-:8] | 1 |
C(=C)C1=NC=C(C=N1)NC(OCC1=CC=CC=C1)=O>>OC(CO)C1=NC=C(C=N1)NC(OCC1=CC=CC=C1)=O | 5 |
F[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([NH:11][C@H:12]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=1)[C:13]([OH:15])=[O:14])(=[O:10])=[O:9].[F:24]C1C=CC=CC=1S(Cl)(=O)=O>>[F:24][C:7]1[CH:2]=[C:3]([S:8]([NH:11][C@H:12]([CH2:16][C:17]2[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=2)[C:13]([OH:15])=[O:14])(=[O:10])=[O:9])[CH:4]=[CH:5][CH:6]=1 | 1 |
CC1=CC=C(C=C1)B(O)O.C(#N)C1=CC=C(C=C1)B(O)O.NC=1C(=NC(=C(N1)Cl)Cl)C(=O)OC>O.ClCCl.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]>NC=1C(=NC(=C(N1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C#N)C(=O)OC | 3 |
CC1=NN(C=2C=CC=C(C12)N)CC1=NC(=CC=C1)C.O1CCN(CC1)CCOC1=CC=2N(C=C1)C(=CN2)C(=O)[O-].[Li+]>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>CC1=NN(C2=CC=CC(=C12)NC(=O)C1=CN=C2N1C=CC(=C2)OCCN2CCOCC2)CC2=NC(=CC=C2)C | 3 |
C(C)(=O)OCC(COC(C)=O)(CCOC(C)=O)CCC1(CCCCC1)CCO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C>>C(C)(=O)OCC(COC(C)=O)(CCOC(C)=O)CCC1(CCCCC1)CCO | 5 |
Br[CH2:2][C:3]#[N:4].C(=O)([O-])[O-].[K+].[K+].[NH2:11][C@@H:12]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[CH2:13][O:14][CH2:15][C:16]1[CH:21]=[C:20]([C:22]([F:25])([F:24])[F:23])[CH:19]=[C:18]([C:26]([F:29])([F:28])[F:27])[CH:17]=1>CN(C=O)C>[F:29][C:26]([F:27])([F:28])[C:18]1[CH:17]=[C:16]([CH2:15][O:14][CH2:13][C@@H:12]([NH:11][CH2:2][C:3]#[N:4])[C:30]2[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=2)[CH:21]=[C:20]([C:22]([F:24])([F:25])[F:23])[CH:19]=1 | 1 |
C([O:3][C:4](=[O:30])[C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][C:16]([C:19]3([NH:22][CH2:23][C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)[CH2:21][CH2:20]3)=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)C.[OH-].[Na+]>C(O)C.O1CCCC1>[CH2:23]([NH:22][C:19]1([C:16]2[CH:17]=[CH:18][C:13]([C:12]#[C:11][C:8]3[CH:7]=[CH:6][C:5]([C:4]([OH:30])=[O:3])=[CH:10][CH:9]=3)=[CH:14][CH:15]=2)[CH2:20][CH2:21]1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
NC=1N=CC2=CC=CC=C2C1.COC(C1=C(C=CC=C1)NCC1=CC(=NC=C1)NC(=O)N1CCOCC1)=O>ClCCCl.C[Al](C)C>C1=NC(=CC2=CC=CC=C12)NC(=O)C1=C(C=CC=C1)NCC1=CC(=NC=C1)NC(=O)N1CCOCC1 | 3 |
COC(CC(C)=O)OC.BrC1=CC=C(C=C1)C1=NNC(=C1)N>>BrC1=CC=C(C=C1)C1=NN2C(N=C(C=C2)C)=C1 | 5 |
C(C)(C)(C)OC(=O)N(C1=C(C=C(C=C1)OC)[N+](=O)[O-])C>Cl.O1CCOCC1>CNC1=C(C=C(C=C1)OC)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)N.ClC1=NC(=NC=C1[N+](=O)[O-])C1=CN=C2N1C=C(C=C2)F>>FC=1C=CC=2N(C1)C(=CN2)C2=NC=C(C(=N2)N[C@H]2CN(CCC2)C(=O)OC(C)(C)C)[N+](=O)[O-] | 5 |
BrC1=CC2=C(SC=C2)C=C1.FC1=CC=C(NC2=C(C(=O)OC(C)(C)C)C=CC(=C2)B2OC(C(O2)(C)C)(C)C)C=C1>C1(=CC=CC=C1)C.CCO[H].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>S1C=CC2=C1C=CC(=C2)C2=CC(=C(C(=O)OC(C)(C)C)C=C2)NC2=CC=C(C=C2)F | 3 |
CC(OC(/N=N/C(OC(C)C)=O)=O)C.[Br:15][C:16]1[CH:17]=[CH:18][C:19]([OH:22])=[N:20][CH:21]=1.[CH3:23][N:24]1[CH2:29][CH2:28][CH:27](O)[CH2:26][CH2:25]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C1COCC1>[Br:15][C:16]1[CH:17]=[CH:18][C:19]([O:22][CH:27]2[CH2:28][CH2:29][N:24]([CH3:23])[CH2:25][CH2:26]2)=[N:20][CH:21]=1 | 2 |
C(C)(C)(C)OC(=O)NCC1CC2=CC(=CC=C2CC1)C=C>O.C1CCCO1.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O.CC(C)(C)O>C(=O)C1=CC=C2CCC(CC2=C1)CNC(=O)OC(C)(C)C | 3 |
C1(=CC=CC=C1)[C@@H](C(=O)O)CC.FC1=C(C=C(C=C1)C(F)(F)F)CN>>FC1=C(CNC([C@@H](CC)C2=CC=CC=C2)=O)C=C(C=C1)C(F)(F)F | 5 |
COC1=CC=C(C=O)C=C1.[Cl-].COC(=O)C1=CC=C(O1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>COC1=CC=C(C=C1)C=CC1=CC=C(O1)C(=O)OC | 5 |
[Si](C)(C)(C(C)(C)C)OCCC1=NOC(C1)(O)[C@H](CC1=CC=C(C=C1)OC)NC(OC(C)(C)C)=O>Cl.C(C)(=O)OCC.C(O)([O-])=O.[Na+]>OCCC1=NOC(=C1)[C@H](CC1=CC=C(C=C1)OC)NC(OC(C)(C)C)=O | 3 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[C:22]3[S:21][C:20]([NH:23][C:24]([C:26]4[CH:31]=[CH:30][N:29]=[C:28]([O:32][CH3:33])[CH:27]=4)=[O:25])=[N:19][C:18]=3[C:17]([O:34][CH3:35])=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C>Cl.CO>[CH3:33][O:32][C:28]1[CH:27]=[C:26]([CH:31]=[CH:30][N:29]=1)[C:24]([NH:23][C:20]1[S:21][C:22]2[C:14]([CH:11]3[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]3)=[CH:15][CH:16]=[C:17]([O:34][CH3:35])[C:18]=2[N:19]=1)=[O:25] | 1 |
C(C)(=O)C=1N=C2N(C(=CC(=C2)C(=O)NC2=CC=CC=C2)C)C1CC1CCC(CC1)(F)F>>FC1(CCC(CC1)CC1=C(N=C2N1C(=CC(=C2)C(=O)NC2=CC=CC=C2)C)C(C)O)F | 5 |
O1CC(C1)S(=O)(=O)Cl.N[C@@H]1CC[C@H](OC1)CN1CCC2(CN(C2)C2=NC=NC=C2OC2=C(C=C(C=C2)F)C(=O)N2[C@@H](COC[C@H]2C)C)CC1>>C[C@H]1N([C@@H](COC1)C)C(=O)C1=C(OC=2C(=NC=NC2)N2CC3(C2)CCN(CC3)C[C@@H]3CC[C@H](CO3)NS(=O)(=O)C3COC3)C=CC(=C1)F | 5 |
Cl[Si](C)(C)C.CC=1C(=C(C=CC1)CC(=O)OCC)[N+](=O)[O-]>N(C)(C)C=O.CCN(CC)CC>CC1=CC=CC=2C1=NOC2C(=O)OCC | 3 |
FC(COS(=O)(=O)C(F)(F)F)F.FC(C=1C=C2C(=NC1)OC(=N2)C2=C(C=NC=C2)O)(F)F>>FC(COC=1C=NC=CC1C=1OC2=NC=C(C=C2N1)C(F)(F)F)F | 5 |
OCC(=O)C1=CC=CC=C1>N(C)(C)C=O.[H-].[Li+]>COCOCC(=O)C1=CC=CC=C1 | 3 |
ClC1=C(C=CC=C1)C=1OC2=C(C(=CC(=C2C(C1)=O)O)O)[C@H]1[C@@H](N(CC1)C)CO>Cl.CC(C)O>Cl.ClC1=C(C=CC=C1)C=1OC2=C(C(=CC(=C2C(C1)=O)O)O)[C@H]1[C@@H](N(CC1)C)CO | 3 |
C(C)(C)(C)OC(=O)N1N=CC(=C1)C=1C=C2C(=C(N=NC2=CC1)C(=O)OCC)NC(C)C>O1CCOCC1.[OH-].[Li+]>C(C)(C)NC1=C(N=NC2=CC=C(C=C12)C=1C=NNC1)C(=O)O | 3 |
CC1(OC[C@H](O1)CN1N=C(C=C1)N)C.CC(C[C@@H](C(=O)O)N1C(C=C(C1)OC1=CC=CC2=CC=CC=C12)=O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>CC1(OC[C@H](O1)CN1N=C(C=C1)NC([C@H](CC(C)C)N1C(C=C(C1)OC1=CC=CC2=CC=CC=C12)=O)=O)C | 3 |
NC1=C(C=CC(=C1)C)O.C(C=C)(=O)Cl>ClCCl.c1ccncc1>OC1=C(C=C(C=C1)C)NC(C=C)=O | 3 |
[F:1][C:2]([F:15])([CH3:14])[CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11]O)=[CH:7][C:6]=1[CH3:13].[C:16]1(=[O:26])[NH:20][C:19](=[O:21])[C:18]2=[CH:22][CH:23]=[CH:24][CH:25]=[C:17]12>>[F:1][C:2]([F:15])([CH3:14])[CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][N:20]2[C:16](=[O:26])[C:17]3[C:18](=[CH:22][CH:23]=[CH:24][CH:25]=3)[C:19]2=[O:21])=[CH:7][C:6]=1[CH3:13] | 2 |
C(O)(C(F)(F)F)=O.[F:8][C:9]1[CH:10]=[C:11]([NH:19][C:20]([C@H:22]2[C:31]3[C:26](=[CH:27][C:28]([O:32][CH3:33])=[CH:29][CH:30]=3)[CH2:25][CH2:24][N:23]2[C:34]([C@@H:36]2[CH2:39][C@H:38]([CH2:40][C:41]([O:43]C(C)(C)C)=[O:42])[CH2:37]2)=[O:35])=[O:21])[CH:12]=[CH:13][C:14]=1[Si:15]([CH3:18])([CH3:17])[CH3:16].C(=O)([O-])O.[Na+]>O.C(#N)C>[F:8][C:9]1[CH:10]=[C:11]([NH:19][C:20]([C@H:22]2[C:31]3[C:26](=[CH:27][C:28]([O:32][CH3:33])=[CH:29][CH:30]=3)[CH2:25][CH2:24][N:23]2[C:34]([C@@H:36]2[CH2:39][C@H:38]([CH2:40][C:41]([OH:43])=[O:42])[CH2:37]2)=[O:35])=[O:21])[CH:12]=[CH:13][C:14]=1[Si:15]([CH3:16])([CH3:17])[CH3:18] | 1 |
O=C1CCN(CC12CCOCC2)C(=O)OC(C)(C)C>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+].[I-].C[S+](C)C>O1CC12C1(CCOCC1)CN(CC2)C(=O)OC(C)(C)C | 3 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.C(N)(=O)OCCOCCOCCOCCO>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.C(COCCOCCOCCO)O | 5 |
CN=C=O.NC1=NC=NN2C1=C(C=C2C2CCNCC2)C2=CC(=C(C=C2)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)F)F>>NC1=NC=NN2C1=C(C=C2C2CCN(CC2)C(=O)NC)C2=CC(=C(C=C2)NC(NC2=C(C=CC(=C2)C(F)(F)F)F)=O)F | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:20][CH3:21])=[C:6]([C:8]([CH3:19])([CH3:18])[CH2:9][CH:10]([C:14]([F:17])([F:16])[F:15])[CH:11](O)[OH:12])[CH:7]=1.C(Cl)(=O)C(Cl)=[O:24].CS(C)=O>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:20][CH3:21])=[C:6]([C:8]([CH3:19])([CH3:18])[CH2:9][C:10]([OH:24])([C:14]([F:17])([F:16])[F:15])[CH:11]=[O:12])[CH:7]=1 | 1 |
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC=3C=CC(=CC3)F>C1(=CC=CC=C1)C.C(C)(C)NC(C)C>CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC=3C=CC(=CC3)F.C(C)(C)NC(C)C | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[O:11][CH:10]=[N:9][CH:8]=1.[CH2:12]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](O)=[O:25])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>>[CH2:12]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]([C:10]1[O:11][C:7]([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)=[CH:8][N:9]=1)=[O:25])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 2 |
ClC1=C(C=O)C=CC(=C1)Cl.CC1=CC(OC2=CC(=CC=C12)C#N)=O>>ClC1=C(C=CC(=C1)Cl)C(CC1=CC(OC2=CC(=CC=C12)C#N)=O)O | 5 |
CC1=CC=C(C=C1)B(O)O.BrC=1C(=C(C=CC1)N(CCCC)CC1=CC(=C(OCC(=O)OCC)C=C1)C)C>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>C(CCC)N(C=1C(=C(C=CC1)C1=CC=C(C=C1)C)C)CC1=CC(=C(OCC(=O)O)C=C1)C | 3 |
C(C1=CC=CC=C1)Br.FC1=C(C(=O)NC2=CC(=C(C=C2)C=2OC(NN2)=S)F)C=CC=C1>>FC1=C(C(=O)NC2=CC(=C(C=C2)C=2OC(=NN2)SCC2=CC=CC=C2)F)C=CC=C1 | 5 |
COC(=O)C1=NC=CC=C1C(OC)OC>O.O1CCOCC1.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(O)([O-])=O.[Na+]>COC(=O)C1=NC=CC=C1C=O | 3 |
C(C)(C)NC1=NC(=CC(=N1)C(C)=O)C>>C(C)(C)NC1=NC(=CC(=N1)C(C)=NO)C | 5 |
[O:1]1[C:10]2[CH:9]=[C:8]([CH2:11][NH:12][C:13]3([C:26]([O:28][CH3:29])=[O:27])[CH2:18][CH2:17][N:16](C(OC(C)(C)C)=O)[CH2:15][CH2:14]3)[N:7]=[CH:6][C:5]=2[O:4][CH2:3][CH2:2]1.FC(F)(F)C(O)=O>C(Cl)Cl>[O:1]1[C:10]2[CH:9]=[C:8]([CH2:11][NH:12][C:13]3([C:26]([O:28][CH3:29])=[O:27])[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[N:7]=[CH:6][C:5]=2[O:4][CH2:3][CH2:2]1 | 2 |
[F:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6](B2OC(C)(C)C(C)(C)O2)[C:3]=1[C:4]#[N:5].Cl.Cl[C:21]1[CH:26]=[CH:25][N:24]=[CH:23][N:22]=1.C(=O)([O-])[O-].[Na+].[Na+]>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]>[F:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([C:21]2[CH:26]=[CH:25][N:24]=[CH:23][N:22]=2)[C:3]=1[C:4]#[N:5] | 2 |
Cl.COC(=O)[C@@H]1CC[C@H](CC1)CN.FC1=C(C(=O)OC)C(=CC=C1OC)C=O>>FC=1C(=CC=C2CN(C(C12)=O)C[C@@H]1CC[C@H](CC1)C(=O)OC)OC | 5 |
C(O)(C(F)(F)F)=O.C(Cl)Cl.C(OC([N:18]1[CH2:23][CH2:22][CH:21]([N:24]2[C:28]3[N:29]=[CH:30][N:31]=[C:32]([NH2:33])[C:27]=3[C:26]([C:34](=[O:53])[C:35]3[CH:40]=[CH:39][CH:38]=[C:37]([NH:41][C:42]([NH:44][C:45]4[CH:50]=[C:49]([Cl:51])[CH:48]=[C:47]([Cl:52])[CH:46]=4)=[O:43])[CH:36]=3)=[CH:25]2)[CH2:20][CH2:19]1)=O)(C)(C)C>C(Cl)Cl>[NH2:33][C:32]1[C:27]2[C:26]([C:34]([C:35]3[CH:36]=[C:37]([NH:41][C:42]([NH:44][C:45]4[CH:50]=[C:49]([Cl:51])[CH:48]=[C:47]([Cl:52])[CH:46]=4)=[O:43])[CH:38]=[CH:39][CH:40]=3)=[O:53])=[CH:25][N:24]([CH:21]3[CH2:20][CH2:19][NH:18][CH2:23][CH2:22]3)[C:28]=2[N:29]=[CH:30][N:31]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OCCBr.[N+](=O)([O-])C=1C=NNC1>N(C)(C)C=O.ClCCl.C(=O)([O-])[O-].[Cs+].[Cs+]>[Si](C)(C)(C(C)(C)C)OCCN1N=CC(=C1)[N+](=O)[O-] | 3 |
ClC1=NC(=NC(=C1)Cl)C1=CC(=C(C=C1)Cl)Cl>O.CNCCNC>ClC1=NC(=NC(=C1)NCCN(C)C)C1=CC(=C(C=C1)Cl)Cl | 3 |
C(C)(C)(C)OC(NCCN1C(C(N(CC1)C)=O)=O)=O>CO[H].ClCCl.Cl>Cl.NCCN1C(C(N(CC1)C)=O)=O | 3 |
NCC=1C=C2C=CN=C(C2=CC1)N.N1(CCCC1)C=1C=NC2=CC=C(C=C2C1)CC=1C=C(C(=O)O)C=CN1>N(C)(C)C=O.O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>NC1=NC=CC2=CC(=CC=C12)CNC(C1=CC(=NC=C1)CC=1C=C2C=C(C=NC2=CC1)N1CCCC1)=O | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8](Cl)(=[O:10])=[O:9])=[CH:4][C:3]=1[C:12]([F:15])([F:14])[F:13].[NH2:16][C:17]1[C:18]([C:24]#[N:25])=[N:19][CH:20]=[C:21]([CH3:23])[CH:22]=1>N1C=CC=CC=1>[C:24]([C:18]1[C:17]([NH:16][S:8]([C:5]2[CH:6]=[CH:7][C:2]([CH3:1])=[C:3]([C:12]([F:15])([F:14])[F:13])[CH:4]=2)(=[O:10])=[O:9])=[CH:22][C:21]([CH3:23])=[CH:20][N:19]=1)#[N:25] | 1 |
C1(=CC=CC=C1)S(=O)(=O)C=1C=C2CCCC(C2=CC1)CCOS(=O)(=O)C>>C1(=CC=CC=C1)S(=O)(=O)C=1C=C2CCCC(C2=CC1)CCC#N | 5 |
C(C=C)(=O)OCC.FC(C(=O)O)(F)F.ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C(=C2CCNCC2=CC1)C>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C(=C2CCN(CC2=CC1)CCC(=O)OCC)C | 5 |
O[CH:2]1C2C(=CC=CC=2)C(=O)[N:3]1CC1SC=CC=1.[O:18]=[C:19]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:21]([S:28][CH2:29][C:30]([NH:32][C:33]2S[CH:35]=[CH:36][N:37]=2)=[O:31])[N:20]1[CH2:38][C:39]1[S:40][CH:41]=[CH:42][CH:43]=1>>[O:18]=[C:19]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:21]([S:28][CH2:29][C:30]([NH:32][C:33]2[CH:2]=[N:3][CH:35]=[CH:36][N:37]=2)=[O:31])[N:20]1[CH2:38][C:39]1[S:40][CH:41]=[CH:42][CH:43]=1 | 1 |
C(C)(C)(C)OC(NC=1C(=NC=CC1C1=C(C=CC(=C1)F)F)C1C(CCCC1)O)=O>ClCCl.Cl.C([O-])([O-])=O.[K+].[K+].O1CCOCC1>NC=1C(=NC=CC1C1=C(C=CC(=C1)F)F)C1C(CCCC1)O | 3 |
[CH3:1][NH:2][C:3]([CH3:6])([CH3:5])[CH3:4].C(N(CC)CC)C.ClC(Cl)(O[C:18](=[O:24])OC(Cl)(Cl)Cl)Cl.[Cl-].[F:27][C:28]1[CH:29]=[C:30]([CH:53]=[C:54]([F:56])[CH:55]=1)[CH2:31][NH2+:32][CH2:33][C:34]([NH:36][C:37]1[CH:38]=[C:39]2[C:43](=[CH:44][CH:45]=1)[CH2:42][C@@:41]1([C:49](=[O:50])[NH:48][C:47](=[O:51])[N:46]1[CH3:52])[CH2:40]2)=[O:35]>C(Cl)Cl.CCOC(C)=O>[C:3]([N:2]([CH3:1])[C:18]([N:32]([CH2:31][C:30]1[CH:53]=[C:54]([F:56])[CH:55]=[C:28]([F:27])[CH:29]=1)[CH2:33][C:34]([NH:36][C:37]1[CH:38]=[C:39]2[C:43](=[CH:44][CH:45]=1)[CH2:42][C@@:41]1([C:49](=[O:50])[NH:48][C:47](=[O:51])[N:46]1[CH3:52])[CH2:40]2)=[O:35])=[O:24])([CH3:6])([CH3:5])[CH3:4] | 1 |
[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]2[CH:13]=[CH:12][C:10]([NH2:11])=[CH:9][CH:8]=2)[N:3]=1.Br[CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17]>C(N(C(C)C)C(C)C)C>[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]2[CH:13]=[CH:12][C:10]([NH:11][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:9][CH:8]=2)[N:3]=1 | 1 |
N[C@H](CO)CC=C>O.C1CCCO1.C([O-])([O-])=O.[Na+].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>OC[C@H](CC=C)NS(=O)(=O)C1=CC=C(C=C1)C | 3 |
C(C)OC(CBr)OCC.BrC=1C=CC(=C(C1)O)C>N(C)(C)C=O.[H-].[Na+]>BrC1=CC(=C(C=C1)C)OCC(OCC)OCC | 3 |
ClC1=CC2=C(N(C=NS2(=O)=O)CC2CC2)C=C1>>ClC1=CC2=C(N(CNS2(=O)=O)CC2CC2)C=C1 | 5 |
[NH2:1][C:2]1[S:3][C:4]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)=[C:5]([C:7]([N:9]2[CH2:14][C@H:13]3[C@H:11]([CH2:12]3)[C@H:10]2[CH2:15][NH2:16])=[O:8])[N:6]=1.[O:24]1[C:28]2[C:29]([C:33](O)=[O:34])=[CH:30][CH:31]=[CH:32][C:27]=2[CH2:26][CH2:25]1>>[NH2:1][C:2]1[S:3][C:4]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)=[C:5]([C:7]([N:9]2[CH2:14][C@H:13]3[C@H:11]([CH2:12]3)[C@H:10]2[CH2:15][NH:16][C:33]([C:29]2[C:28]3[O:24][CH2:25][CH2:26][C:27]=3[CH:32]=[CH:31][CH:30]=2)=[O:34])=[O:8])[N:6]=1 | 1 |
[NH2:1][C:2]1[S:3][CH:4]=[C:5]([C:7](=[N:11][O:12][CH:13]([CH3:15])[CH3:14])[C:8]([OH:10])=[O:9])[N:6]=1.[C:16](OC(=O)C)(=[O:18])C>C(O)=O>[CH:16]([NH:1][C:2]1[S:3][CH:4]=[C:5]([C:7](=[N:11][O:12][CH:13]([CH3:15])[CH3:14])[C:8]([OH:10])=[O:9])[N:6]=1)=[O:18] | 1 |
Br[C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[CH:5][CH2:6]2.[C:11]1([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].O1CCOCC1>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.Cl[Pd]Cl.O>[C:11]1([C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[CH:5][CH2:6]2 | 1 |
C(C)OC(=O)C1(CCC(CC1)NCCC1=C(C(=C(C=C1)CCCCCCCCCC)F)F)C(=O)O>O.CCO[H].[OH-].[K+]>C(CCCCCCCCC)C1=C(C(=C(CCNC2CCC(CC2)(C(=O)O)C(=O)O)C=C1)F)F | 3 |
FC(C1=NNC=2CCCCC12)(F)F.BrCC1=CC=C(C=C1)C(=O)N1CCCC1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>N1(CCCC1)C(=O)C1=CC=C(C=C1)CN1N=C(C=2CCCCC12)C(F)(F)F | 3 |
C(C)(C)I.N1CC(CCC1)C1=NN2C(NC(C3=CC=CC=C23)=O)=C1>>C(C)(C)N1CC(CCC1)C1=NN2C(NC(C3=CC=CC=C23)=O)=C1 | 5 |
CN.COC(=O)C=1SC=CC1S(=O)(=O)Cl>C1CCCO1.ClCCl>CNS(=O)(=O)C1=C(SC=C1)C(=O)OC | 3 |
[H-].[Na+].[CH2:3](Br)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.CCCCCC.C([O:20][CH2:21][CH3:22])(=O)C.C1C[O:26][CH2:25][CH2:24]1>>[C:4]1([CH2:3][O:26][CH2:25][CH2:24][CH2:22][CH2:21][OH:20])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
[N+](=O)([O-])C1=CC=C(C(=O)Cl)C=C1.O[C@@H]1C[C@H](C2=C1N=CN=C2N2CCN(CC2)C(=O)OC(C)(C)C)C>>C[C@@H]1C[C@H](C=2N=CN=C(C21)N2CCN(CC2)C(=O)OC(C)(C)C)OC(C2=CC=C(C=C2)[N+](=O)[O-])=O | 5 |
[SiH3][NH+:2]([S-])[C@H:3]([C:6]([OH:8])=[O:7])[CH2:4][SH:5].[N+:10]([C:13]1[CH:18]=[CH:17][C:16]([S:19]Cl)=[CH:15][CH:14]=1)([O-:12])=[O:11]>ClCCl>[N+:10]([C:13]1[CH:14]=[CH:15][C:4]([S:5][S:19][C:16]2[CH:17]=[CH:18][C:13]([N+:10]([O-:12])=[O:11])=[CH:14][CH:15]=2)=[CH:3][CH:6]=1)([O-:12])=[O:11].[NH2:2][C@H:3]([C:6]([OH:8])=[O:7])[CH2:4][SH:5] | 2 |
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