smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=NN=C(C2=CC=CC=C12)C1=CC=CC=C1.C(C#C)N1C=NC2=C1C=CC(=C2)N>>C1(=CC=CC=C1)N1C=NC2=C1C=CC(=C2)NC2=NN=C(C1=CC=CC=C21)C2=CC=CC=C2 | 5 |
[O:1]1[CH2:4][CH:3]([N:5]2[CH2:10][CH2:9][N:8]([C:11]3[CH:16]=[CH:15][C:14]([N:17]([C:25]4[C:26]5[N:27]([CH:44]=[CH:45][N:46]=5)[CH:28]=[C:29]([Sn](CCCC)(CCCC)CCCC)[N:30]=4)[C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[CH:13][CH:12]=3)[CH2:7][CH2:6]2)[CH2:2]1.[C:47]([O:51][C:52]([N:54]([C:63]([O:65][C:66]([CH3:69])([CH3:68])[CH3:67])=[O:64])[C:55]1[C:60]([Cl:61])=[N:59][CH:58]=[C:57](Br)[N:56]=1)=[O:53])([CH3:50])([CH3:49])[CH3:48]>O1CCOCC1.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[C:47]([O:51][C:52]([N:54]([C:55]1[C:60]([Cl:61])=[N:59][CH:58]=[C:57]([C:29]2[N:30]=[C:25]([N:17]([C:18]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:24])[C:14]3[CH:15]=[CH:16][C:11]([N:8]4[CH2:7][CH2:6][N:5]([CH:3]5[CH2:2][O:1][CH2:4]5)[CH2:10][CH2:9]4)=[CH:12][CH:13]=3)[C:26]3[N:27]([CH:44]=[CH:45][N:46]=3)[CH:28]=2)[N:56]=1)[C:63](=[O:64])[O:65][C:66]([CH3:69])([CH3:68])[CH3:67])=[O:53])([CH3:50])([CH3:49])[CH3:48] | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([NH2:12])[CH:3]=1.[CH2:13]1[C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[CH2:16][CH2:15][NH:14]1>>[CH2:13]1[C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[CH2:16][CH2:15][N:14]1[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([NH2:12])[CH:3]=1 | 1 |
[N:1]1([C:8]([NH:10][C@@H:11]([CH2:15][CH:16]([CH3:18])[CH3:17])[C:12]([OH:14])=O)=[O:9])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.Cl.[C:51]1([N:57]2[C:65]3[C:60](=[CH:61][CH:62]=[CH:63][CH:64]=3)[C:59]([CH2:66][NH2:67])=[N:58]2)[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=1>CN(C=O)C>[CH3:17][CH:16]([CH3:18])[CH2:15][C@H:11]([NH:10][C:8]([N:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1)=[O:9])[C:12](=[O:14])[NH:67][CH2:66][C:59]1[C:60]2[C:65](=[CH:64][CH:63]=[CH:62][CH:61]=2)[N:57]([C:51]2[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=2)[N:58]=1 | 1 |
CC1C=CC(S(O[CH2:12][C@H:13]2[CH2:22][CH2:21][C:20]3[C:15](=[C:16]([C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=4[Cl:30])[C:17]([F:23])=[CH:18][CH:19]=3)[O:14]2)(=O)=O)=CC=1.[N-:31]=[N+:32]=[N-:33].[Na+]>CS(C)=O>[N:31]([CH2:12][C@H:13]1[CH2:22][CH2:21][C:20]2[C:15](=[C:16]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[Cl:30])[C:17]([F:23])=[CH:18][CH:19]=2)[O:14]1)=[N+:32]=[N-:33] | 1 |
[CH3:1][O:2][C:3]([C:5]1[CH:6]=[C:7]([CH:11]=[C:12]([C:14]2[CH:19]=[C:18]([Cl:20])[CH:17]=[CH:16][C:15]=2[Cl:21])[CH:13]=1)[C:8](O)=[O:9])=[O:4].[CH3:22][N:23]([CH3:27])[CH2:24][CH2:25][NH2:26].ON1C2C=CC=CC=2N=N1.C(N=C=NCCCN(C)C)C>CN(C)C=O>[ClH:20].[Cl:21][C:15]1[CH:16]=[CH:17][C:18]([Cl:20])=[CH:19][C:14]=1[C:12]1[CH:11]=[C:7]([C:8](=[O:9])[NH:26][CH2:25][CH2:24][N:23]([CH3:27])[CH3:22])[CH:6]=[C:5]([CH:13]=1)[C:3]([O:2][CH3:1])=[O:4] | 1 |
C(CCC)[Sn](C#CC)(CCCC)CCCC.ClC1=NC=C(C(=C1)O)I>[Cu]I.N(C)(C)C=O.O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC2=C(C=N1)C=C(O2)C | 3 |
BrC1=CC(=C(S1)C#N)C(=O)OCC>O.C1CCCO1.[OH-].[Li+]>BrC1=CC(=C(S1)C#N)C(=O)O | 3 |
COCCOC1=CC=C(N=N1)C(=O)OC>C1CCCO1.CO[H].[Na+].[BH4-]>COCCOC1=CC=C(N=N1)CO | 3 |
BrC=1C=NC(=NC1)N([C@@H]1CC[C@H](CC1)CCCOS(=O)(=O)C)C>>BrC=1C=NC(=NC1)N(C)[C@@H]1CC[C@H](CC1)CCCN(C)C | 5 |
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O>>COC([C@@H](N)CC1=CNC2=CC=CC=C12)=O | 5 |
CN.C(#N)NC(=N)N(CCSCC=1N=CNC1C)C#N>CCO[H]>C(#N)NC(NC)=NCCSCC=1N=CNC1C | 3 |
[CH3:1][CH:2]([C:7](=[CH:13][CH3:14])[C:8]([O:10]CC)=[O:9])[CH2:3][CH2:4][CH2:5][CH3:6].[OH-].[Na+]>CO.O>[CH3:1][CH:2]([C:7](=[CH:13][CH3:14])[C:8]([OH:10])=[O:9])[CH2:3][CH2:4][CH2:5][CH3:6] | 1 |
[Cl-].[OH:2][CH:3]([C:11]1[CH:20]=[CH:19][C:14]2[C:15](=[O:18])[O:16][CH2:17][C:13]=2[C:12]=1[CH3:21])[CH2:4][CH:5]1[CH2:10][CH2:9][NH2+:8][CH2:7][CH2:6]1.[N:22]1([C:27]2[N:32]=[CH:31][C:30]([CH2:33][C:34](O)=[O:35])=[CH:29][CH:28]=2)[CH:26]=[N:25][N:24]=[N:23]1>>[OH:2][CH:3]([C:11]1[CH:20]=[CH:19][C:14]2[C:15](=[O:18])[O:16][CH2:17][C:13]=2[C:12]=1[CH3:21])[CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([C:34](=[O:35])[CH2:33][C:30]2[CH:31]=[N:32][C:27]([N:22]3[CH:26]=[N:25][N:24]=[N:23]3)=[CH:28][CH:29]=2)[CH2:9][CH2:10]1 | 2 |
BrC1=CC(=CC=2NC(COC21)=O)F>C1CCCO1.CSC.B>BrC1=CC(=CC=2NCCOC21)F | 3 |
[OH2:1].[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[Si]([CH2:27][CH2:28][C@H:29]([OH:35])[C:30]([CH3:34])([CH3:33])[C:31]#[N:32])(C(C)(C)C)(C)C>O1CCCC1>[OH:1][CH2:27][CH2:28][C@H:29]([OH:35])[C:30]([CH3:34])([CH3:33])[C:31]#[N:32] | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.CC=1N=CC(=NC1)CN.NC=1SC(=CC1C(=O)OC)CC>>C(C)C1=CC2=C(NC(N(C2=O)CC2=NC=C(N=C2)C)=O)S1 | 5 |
C(C(C)C)(=O)OC(C(C)C)=O.OC(CNC(C1=CC(=C(C=C1)NCC#CC=1N(C2=CC=CC(=C2C1)N[C@H]1[C@H](CN(CC1)C)F)CC(F)(F)F)OC)=O)CO>C(Cl)(Cl)(Cl)[H].ClCCl.CCN(CC)CC>CC(C(=O)OC(CNC(=O)C1=CC(=C(C=C1)NCC#CC=1N(C2=CC=CC(=C2C1)N[C@H]1[C@H](CN(CC1)C)F)CC(F)(F)F)OC)COC(C(C)C)=O)C | 3 |
Cl.[CH2:2]([O:4][C:5](=[O:18])[C@H:6]([CH2:8][S:9][CH2:10][CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[NH2:7])[CH3:3].[C:19]([S:22][CH2:23][CH:24]([CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)[C:25](O)=[O:26])(=[O:21])[CH3:20]>CO>[CH2:2]([O:4][C:5](=[O:18])[C@H:6]([CH2:8][S:9][CH2:10][CH2:11][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1)[NH:7][C:25](=[O:26])[CH:24]([CH2:28][C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1)[CH2:23][S:22][C:19](=[O:21])[CH3:20])[CH3:3] | 1 |
C(C)OC(CNC(C1=CC(=C(C=C1)OC)OC)=O)OCC>S(O)(O)(=O)=O>COC=1C=C2C=CNC(C2=CC1OC)=O | 3 |
Cl[C:2]1[C:11]2[C:6](=[C:7]([N+:14]([O-])=O)[CH:8]=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[C:4]([C:17]([F:20])([F:19])[F:18])[CH:3]=1>[Pd].C(O)C>[NH2:14][C:7]1[CH:8]=[C:9]([O:12][CH3:13])[CH:10]=[C:11]2[C:6]=1[N:5]=[C:4]([C:17]([F:18])([F:19])[F:20])[CH:3]=[CH:2]2 | 1 |
FC(C1=CC=C2C(=NC(=NC2=C1)O)O)(F)F>>ClC1=NC2=CC(=CC=C2C(=N1)CCN)C(F)(F)F | 5 |
[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[CH:7][N:8]2[S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=2)(=[O:13])=[O:12])=[CH:4][CH:3]=1.C(#N)C.[C:23]([O:27][CH3:28])(=[O:26])[CH:24]=[CH2:25]>CCOC(C)=O.O.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[C:7]([CH:25]=[CH:24][C:23]([O:27][CH3:28])=[O:26])[N:8]2[S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=2)(=[O:13])=[O:12])=[CH:4][CH:3]=1 | 1 |
[CH2:1]([OH:7])[C:2]1[O:6][CH2:5][CH2:4][CH:3]=1.[H-].[Na+].[CH2:10](Br)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25].O>CN(C)C=O>[CH2:25]([O:7][CH2:1][C:2]1[O:6][CH2:5][CH2:4][CH:3]=1)[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH3:10] | 1 |
N1=CC(=C2N1C=CC=C2)C(=O)O.ClC1=CC=C(C=N1)C=1N=C(C2=C(N1)CCNC2)OCCOC>>ClC1=CC=C(C=N1)C=1N=C(C2=C(N1)CCN(C2)C(=O)C=2C=NN1C2C=CC=C1)OCCOC | 5 |
C(C)(C)(C)OC(N(C(C)C(NC1C(N(CCC1)CC(NC1CCCC2=CC=CC=C12)=O)=O)=O)C)=O>Cl.C(C)(=O)OCC.O1CCOCC1>CNC(C(=O)NC1C(N(CCC1)CC(NC1CCCC2=CC=CC=C12)=O)=O)C | 3 |
CI.OC1=C(C=O)C=C(C=C1)I>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>IC=1C=CC(=C(C=O)C1)OC | 3 |
C1(CC1)N.ClC1=C(C=C(CNC(C)=O)C=C1)C=O>>ClC1=C(C=C(CNC(C)=O)C=C1)CNC1CC1 | 5 |
CC1=C(C(=CC=C1)C)O.O=C1N(C(C=C(N1)C(F)(F)F)=O)C1=CC(=C(C#N)C=C1)F>C([O-])([O-])=O.[K+].[K+].CS(=O)C>CC1=C(OC2=C(C#N)C=CC(=C2)N2C(NC(=CC2=O)C(F)(F)F)=O)C(=CC=C1)C | 3 |
C([N:8]1[CH2:20][C@@H:19]2[C@H:10]([C:11](=[O:24])[N:12]3[CH2:23][CH2:22][CH2:21][C:14]4[CH:15]=[CH:16][CH:17]=[C:18]2[C:13]3=4)[CH2:9]1)C1C=CC=CC=1.[Cl:25]C(OC(Cl)C)=O.C(=O)([O-])[O-].[Na+].[Na+].Cl.CCOCC>C1(C)C=CC=CC=1.C(Cl)(Cl)Cl>[ClH:25].[CH:17]1[CH:16]=[CH:15][C:14]2[CH2:21][CH2:22][CH2:23][N:12]3[C:13]=2[C:18]=1[C@@H:19]1[CH2:20][NH:8][CH2:9][C@H:10]1[C:11]3=[O:24] | 2 |
C(C1=CC=CC=C1)(=O)O.NC(CC(C)C)C1CCN(CC1)C(=O)OC(C)(C)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)(=O)NC(CC(C)C)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C1=CC=CC=C1)(=O)Cl.NC=1C=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=CC1CS(=O)(=O)C>>C(C1=CC=CC=C1)(=O)NC=1C=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=CC1CS(=O)(=O)C | 3 |
[Mg].[C:2](Br)([CH3:5])([CH3:4])[CH3:3].[CH:7]([C:10]1[C:18]([CH:19]=[O:20])=[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][N:12]2[N:11]=1)([CH3:9])[CH3:8].[Cl-].[NH4+]>CCOCC.C1C=CC=CC=1>[CH:7]([C:10]1[C:18]([CH:19]([OH:20])[C:2]([CH3:5])([CH3:4])[CH3:3])=[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][N:12]2[N:11]=1)([CH3:9])[CH3:8] | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([C:9]([OH:11])=[O:10])[NH:7][CH:8]=1)([O-])=O>C(O)C.O.[Pd].[C]>[NH2:1][C:4]1[CH:5]=[C:6]([C:9]([OH:11])=[O:10])[NH:7][CH:8]=1 | 1 |
[OH:1][C@H:2]1[C@H:11]([O:12][CH2:13][CH2:14][O:15][CH3:16])[C:10]2[CH:9]=[CH:8][N:7]3[C:17]([CH3:21])=[C:18]([CH3:20])[N:19]=[C:6]3[C:5]=2[NH:4][C@@H:3]1[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.[C:28](Cl)(=[O:35])[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.C(N(CC)CC)C>O1CCCC1>[C:28]([O:1][C@H:2]1[C@H:11]([O:12][CH2:13][CH2:14][O:15][CH3:16])[C:10]2[CH:9]=[CH:8][N:7]3[C:17]([CH3:21])=[C:18]([CH3:20])[N:19]=[C:6]3[C:5]=2[NH:4][C@@H:3]1[C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)(=[O:35])[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1 | 2 |
CS(=O)(=O)Cl.C(C1=CC=CC=C1)OCC1N(CCN(C1)S(=O)(=O)C=1SC=CC1)C1=CC=C(C=C1)C(C(F)(F)F)(C)O>>CS(=O)(=O)OCC1N(CCN(C1)S(=O)(=O)C=1SC=CC1)C1=CC=C(C=C1)C(C(F)(F)F)(C)O | 5 |
[Si:1]([O:8][CH:9]1[CH2:14][CH2:13][CH:12]([CH2:15][C@H:16]([NH:20][C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24])[CH2:17][NH:18][CH3:19])[CH2:11][CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].CCN(CC)CC.Cl[C:36]([O:38][CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)=[O:37].O>C(Cl)Cl>[Si:1]([O:8][CH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][C@H:16]([NH:20][C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24])[CH2:17][N:18]([C:36]([O:38][CH2:39][C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)=[O:37])[CH3:19])[CH2:13][CH2:14]1)([C:4]([CH3:6])([CH3:7])[CH3:5])([CH3:3])[CH3:2] | 1 |
C(C#C)OC=1SC=C(N1)C(=O)OCC>C1(=CC=CC=C1)C.C1CCCO1.CC(C)C[AlH]CC(C)C>C(C#C)OC=1SC=C(N1)CO | 3 |
C(C)(C)(C)O[C@H](C(=O)OC(C)C)C=1C(=C(C=NC1C)C=1C=NC(=CC1C)F)N1CCC(CC1)(C)C>C1CCCO1.[H-].[Na+].CC(C)(C)O>C(C)(C)(C)O[C@H](C(=O)O)C=1C(=C(C=NC1C)C=1C=NC(=CC1C)OCC(C)C)N1CCC(CC1)(C)C | 3 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][C:13]=1[O:14][CH2:15][C:16]([O:18]CC)=[O:17])[N:10]=[C:9]([N:21]1[CH2:26][CH2:25][O:24][CH2:23][CH2:22]1)[N:8]=[C:7]2[N:27]1[CH2:32][CH2:31][CH:30]([N:33]2[C:42](=[O:43])[C:41]3[C:36](=[CH:37][CH:38]=[C:39]([CH3:44])[CH:40]=3)[N:35]([CH3:45])[C:34]2=[O:46])[CH2:29][CH2:28]1)[CH3:2].[OH-].[Na+].Cl.CCOCC>CO>[C:16]([CH2:15][O:14][C:13]1[CH:12]=[C:11]2[C:6]([C:7]([N:27]3[CH2:32][CH2:31][CH:30]([N:33]4[C:42](=[O:43])[C:41]5[C:36](=[CH:37][CH:38]=[C:39]([CH3:44])[CH:40]=5)[N:35]([CH3:45])[C:34]4=[O:46])[CH2:29][CH2:28]3)=[N:8][C:9]([N:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)=[N:10]2)=[CH:5][C:4]=1[O:3][CH2:1][CH3:2])([OH:18])=[O:17] | 1 |
[N+:1]([C:4]1[C:5]([NH:10][CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])=[N:6][CH:7]=[CH:8][CH:9]=1)([O-])=O>[Pd].CCOC(C)=O>[NH2:1][C:4]1[C:5]([NH:10][CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])=[N:6][CH:7]=[CH:8][CH:9]=1 | 1 |
ClC=1C=C(C(=O)O)C=CC1Cl.BrC=1C=C2C=C(NC2=CC1)C(C)NCCCN>ClCCl.Cl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21>BrC=1C=C2C=C(NC2=CC1)C(C)NCCCNC(C1=CC(=C(C=C1)Cl)Cl)=O | 3 |
IC1=CC=C(C)C=C1.C1(=CC=CC=C1)S>[Cu]I.COCCOC.C(=O)([O-])[O-].[Cs+].[Cs+].C[N+](C)(C)[O-]>CC1=CC=C(C=C1)SC1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:15]([N:17]3[CH2:22][CH2:21][CH:20]([C:23]4[C:28]([O:29][CH3:30])=[CH:27][CH:26]=[CH:25][C:24]=4[O:31][CH3:32])[CH2:19][CH2:18]3)=[O:16])=[CH:7][N:8]2[CH2:11][C:12]([OH:14])=O)=[CH:4][CH:3]=1.C(OC([N:40]1[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:15]([N:17]3[CH2:18][CH2:19][CH:20]([C:23]4[C:28]([O:29][CH3:30])=[CH:27][CH:26]=[CH:25][C:24]=4[O:31][CH3:32])[CH2:21][CH2:22]3)=[O:16])=[CH:7][N:8]2[CH2:11][C:12]([N:40]2[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]2)=[O:14])=[CH:4][CH:3]=1 | 1 |
Cl.Cl.[CH3:3][C:4]1[CH:13]=[C:12]([NH:14][C:15]([NH:17][CH:18]2[CH2:22][CH2:21][NH:20][CH2:19]2)=[O:16])[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=1.[CH2:23]([C:30]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=O)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>C1COCC1>[CH2:32]([CH:30]([N:20]1[CH2:21][CH2:22][CH:18]([NH:17][C:15]([NH:14][C:12]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[N:5]=[C:4]([CH3:3])[CH:13]=2)=[O:16])[CH2:19]1)[CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1 | 2 |
[CH2:1]([NH:3][C:4]1([C:8]([NH2:10])=[O:9])[CH2:7][NH:6][CH2:5]1)[CH3:2].C(N(C(C)C)CC)(C)C.Cl[C:21]1[N:26]2[N:27]=[C:28]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=3[Cl:37])[C:29]([I:30])=[C:25]2[N:24]=[C:23]([CH3:38])[N:22]=1>CN(C=O)C.C(Cl)Cl>[Cl:37][C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=1[C:28]1[C:29]([I:30])=[C:25]2[N:24]=[C:23]([CH3:38])[N:22]=[C:21]([N:6]3[CH2:7][C:4]([NH:3][CH2:1][CH3:2])([C:8]([NH2:10])=[O:9])[CH2:5]3)[N:26]2[N:27]=1 | 1 |
C1(=CC=CC2=CC=CC=C12)C=O.CC=1N=C(SC1)C1(CCNCC1)N(C(C)=O)C1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CC=1N=C(SC1)C1(CCN(CC1)CC1=CC=CC2=CC=CC=C12)N(C(C)=O)C1=CC=CC=C1 | 3 |
C1(=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C1=CC=C(C=C1)C)C.NC=1C=2N(C=CN1)C(=NC2C2=CC=C1C(=CC(=NC1=C2)C2=CC=CC=C2)C)[C@@H]2CC[C@H](CC2)CO>c1ccncc1>NC=1C=2N(C=CN1)C(=NC2C2=CC=C1C(=CC(=NC1=C2)C2=CC=CC=C2)C)[C@@H]2CC[C@H](CC2)CO.CC1=CC=C(C=C1)S(=O)(=O)OC | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)(C1=CC=C(C=C1)C(F)(F)F)O>CCO[H].[HH].[Pd]C>FC(C1=CC=C(C=C1)C1(CCNCC1)O)(F)F | 3 |
BrCCCCBr.O1C(CCCC1)OCCCCCO>O.C1CCCO1.[H-].[Na+]>BrCCCCOCCCCCOC1OCCCC1 | 3 |
[N+:1]([C:4]1[CH:13]=[CH:12][CH:11]=[C:10]2[C:5]=1[CH:6]=[CH:7][C:8](Cl)=[N:9]2)([O-])=O.[CH:15]1([C:18]2[CH:19]=[C:20]([CH:22]=[CH:23][CH:24]=2)[NH2:21])[CH2:17][CH2:16]1.[NH:25]1[C:29]2[CH:30]=[CH:31][C:32]([CH:34]=O)=[CH:33][C:28]=2[N:27]=[CH:26]1>>[NH:25]1[C:29]2[CH:30]=[CH:31][C:32]([CH2:34][NH:1][C:4]3[C:5]4[CH:6]=[CH:7][C:8]([NH:21][C:20]5[CH:22]=[CH:23][CH:24]=[C:18]([CH:15]6[CH2:17][CH2:16]6)[CH:19]=5)=[N:9][C:10]=4[CH:11]=[CH:12][CH:13]=3)=[CH:33][C:28]=2[N:27]=[CH:26]1 | 1 |
C(=O)([O-])[O-].[K+].[K+].[ClH:7].[Cl:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=1.[F:16][C:17]([F:46])([F:45])[C:18]1[CH:19]=[C:20]([CH:38]=[C:39]([C:41]([F:44])([F:43])[F:42])[CH:40]=1)[C:21]([N:23]1[CH2:28][CH2:27][NH:26][CH2:25][C@H:24]1[CH2:29][C:30]1[CH:35]=[CH:34][C:33]([CH3:36])=[C:32]([CH3:37])[CH:31]=1)=[O:22].O>CN(C)C=O>[ClH:8].[ClH:7].[F:46][C:17]([F:16])([F:45])[C:18]1[CH:19]=[C:20]([CH:38]=[C:39]([C:41]([F:42])([F:43])[F:44])[CH:40]=1)[C:21]([N:23]1[CH2:28][CH2:27][N:26]([CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=2)[CH2:25][C@H:24]1[CH2:29][C:30]1[CH:35]=[CH:34][C:33]([CH3:36])=[C:32]([CH3:37])[CH:31]=1)=[O:22] | 1 |
Cl.Cl.[NH2:3][C@H:4]1[CH2:9][CH2:8][N:7]([CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:6][C@H:5]1[OH:17].[Cl:18][CH2:19][CH2:20][CH2:21][C:22](Cl)=[O:23]>C(Cl)Cl>[Cl:18][CH2:19][CH2:20][CH2:21][C:22]([NH:3][C@H:4]1[CH2:9][CH2:8][N:7]([CH2:10][C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH2:6][C@H:5]1[OH:17])=[O:23] | 2 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([CH2:10][O:11][C:12](=[O:21])[CH:13]([P:15]([O:19][CH3:20])([O:17][CH3:18])=[O:16])[OH:14])=[CH:6][CH:5]=1)([O-:3])=[O:2].[Si:22](Cl)([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23].N1C=CN=C1>>[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([CH2:10][O:11][C:12](=[O:21])[CH:13]([P:15]([O:19][CH3:20])([O:17][CH3:18])=[O:16])[O:14][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])=[CH:6][CH:5]=1)([O-:3])=[O:2] | 1 |
ClCC(=O)Cl.ClC=1C=C(N)C=CC1F>C1(=CC=CC=C1)C.c1ccncc1>ClCC(=O)NC1=CC(=C(C=C1)F)Cl | 3 |
COC(OC)=O.C(CC)(=O)C1=CC=CC=C1>>CC1=C(C=CC=C1)C(CC(=O)OC)=O | 5 |
N1=C(C=CC=C1)COC1=CC=C(C(=O)O)C=C1.BrC=1C(=CC(=C(N)C1)C)C>>N1C(=NC=C1)C=1C(=CC(=C(C1)NC(C1=CC=C(C=C1)OCC1=NC=CC=C1)=O)C)C | 5 |
C([O:5][C:6](=[O:33])[CH2:7][N:8]1[C:12]2=[N:13][CH:14]=[C:15]([C:17]([O:19][CH3:20])=[O:18])[CH:16]=[C:11]2[C:10]([CH:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)=[C:9]1[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)(C)(C)C>C(Cl)Cl.C(O)(C(F)(F)F)=O>[CH:21]1([C:10]2[C:11]3[C:12](=[N:13][CH:14]=[C:15]([C:17]([O:19][CH3:20])=[O:18])[CH:16]=3)[N:8]([CH2:7][C:6]([OH:33])=[O:5])[C:9]=2[C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1 | 2 |
FC=1C=C(C=CC1)OC(CC)=O>[Al](Cl)(Cl)Cl.ClC1=C(C=CC=C1)Cl>FC1=CC(=C(C=C1)C(CC)=O)O | 3 |
ClC=1C=CC2=C(NC(C(=CC2=O)OC)=O)C1>C(C)(=O)O.C(C)(=O)[O-].[Na+].ICl>ClC=1C=CC2=C(NC(C(=C(C2=O)I)OC)=O)C1 | 3 |
COC(=O)C1=NNC=C1NC(C1=C(C=CC=C1F)F)=O>>FC1=C(C(=O)NC=2C(=NNC2)C(=O)NN)C(=CC=C1)F | 5 |
C[O:2][C:3]([C:5]1[CH:14]=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[N:10][CH:11]=2)[N:6]=1)=[O:4].ClC1C=C(C=CC=1)C(OO)=[O:20]>ClCCl.CCOC(C)=O.O>[O:20]=[C:11]1[NH:10][CH:9]=[CH:8][C:7]2[N:6]=[C:5]([C:3]([OH:2])=[O:4])[CH:14]=[CH:13][C:12]1=2 | 1 |
C(C=C)(=O)Cl.NC=1C=C(C=CC1)N1C(N(CC=2C1=NC(=NC2)NC)C)=O>ClCCl.C(C)(C)N(C(C)C)CC>CN1C(N(C2=NC(=NC=C2C1)NC)C=1C=C(C=CC1)NC(C=C)=O)=O | 3 |
ClC=1C=C(C=CC1F)C1=CC(=NC(=N1)N1C(CCC1)C)N1CCN(CC1)C1=NC=C(C=N1)Br>N(C)(C)C=O.[Cu+].[C-]#N>ClC=1C=C(C=CC1F)C1=CC(=NC(=N1)N1C(CCC1)C)N1CCN(CC1)C1=NC=C(C=N1)C#N | 3 |
Cl.COC(CCC1=CC=C(C=C1)C1=CC=C(C=C1)CC(C(N(C)C)=O)N)=O>ClCCl.Cl.C(C)(=O)OCC.CCCCCC.C(C)(C)N(C(C)C)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>COC(CCC1=CC=C(C=C1)C1=CC=C(C=C1)CC(NS(=O)(=O)C1=CC=C(C=C1)C)C(N(C)C)=O)=O | 3 |
[Cl-].C[Zn+].ClC1=CC=C(C=N1)CC=1C(=C(C2=C(C(N(CO2)[C@@H]2[C@H](CCCC2)O)=O)C1)F)C>C1CCCO1.C(C)(=O)OCC.[Cl-].[NH4+].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]>FC1=C(C(=CC=2C(N(COC21)[C@@H]2[C@H](CCCC2)O)=O)CC=2C=NC(=CC2)C)C | 3 |
FC1=C(C=C(C=C1)F)OC1=CC=C(C=C1)I>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>FC1=C(OC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C=C(C=C1)F | 3 |
C(O)(=O)C.[CH3:5][O:6][C:7]1[CH:16]=[C:15]2[C:10]([CH2:11][CH2:12][C:13](=O)[C:14]2([CH3:18])[CH3:17])=[CH:9][CH:8]=1.Cl.[Cl:21][C:22]1[CH:23]=[C:24]([NH:29]N)[CH:25]=[CH:26][C:27]=1[Cl:28].C(OCC)C>O>[Cl:28][C:27]1[CH:26]=[C:25]2[C:24](=[CH:23][C:22]=1[Cl:21])[NH:29][C:13]1[C:14]([CH3:18])([CH3:17])[C:15]3[CH:16]=[C:7]([O:6][CH3:5])[CH:8]=[CH:9][C:10]=3[CH2:11][C:12]2=1 | 1 |
C1(=CC=CC=C1)[C@H]1[C@@H](C1)N.FC(OC1=NC=CC(=C1)CN)F>N(C)(C)C=O.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>FC(OC1=NC=CC(=C1)CNC(=O)N[C@H]1[C@@H](C1)C1=CC=CC=C1)F | 3 |
N1C(CCC1)=O.BrC1=CC(=NC(=C1)CN1CCN(CC1)C(C1=C(C(=CC=C1)Cl)F)=O)NC=1SC=CN1>>ClC=1C(=C(C(=O)N2CCN(CC2)CC2=NC(=CC(=C2)N2C(CCC2)=O)NC=2SC=CN2)C=CC1)F | 5 |
C(C(C)(C)C)(=O)OC[C@@H]1[C@@](CC[C@@H](C1)OC(C(C)(C)C)=O)(C)[C@@H]1[C@H]([C@@H]2CC=3C(=NC=CC3)[C@]2(CC1)C)CN=[N+]=[N-]>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>NC[C@H]1[C@@H]2CC=3C(=NC=CC3)[C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)O)CO)C)C | 3 |
ClC(Cl)(Cl)[C:3]([C:5]1[NH:6][CH:7]=[C:8]([C:10](=[O:18])[CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:9]=1)=[O:4].[CH2:21]([NH2:28])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>CN(C=O)C>[CH2:21]([NH:28][C:3]([C:5]1[NH:6][CH:7]=[C:8]([C:10](=[O:18])[CH2:11][C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:9]=1)=[O:4])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
COC1=C(CN)C=CC=C1OC.ClC1=C2C(=NC=N1)C=1C(S2)=NC(=C2C1CC(OC2)(C)C)N2CCCC2>>COC1=C(CNC2=C3C(=NC=N2)C=2C(S3)=NC(=C3C2CC(OC3)(C)C)N3CCCC3)C=CC=C1OC | 5 |
C(C)(C)(C)OC(=O)N1C(CC2(OCCO2)CC1[C@@H](C1=CC=CC=C1)O)CC>>C(C)(C)(C)OC(=O)N1C(CC(CC1[C@@H](C1=CC=CC=C1)O)=O)CC | 5 |
FC(C=1C=C(COCC(=O)N(C)OC)C=C(C1)C(F)(F)F)(F)F.O1C(OCCC1)C1=C(C=CC=C1)[Mg]Br>C1CCCO1>O1C(OCCC1)C1=C(C=CC=C1)C(COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O | 3 |
C1(=CC=CC=C1)C=O.C(C)OC=C(C(=O)OCC)C(=O)OCC.C(C(=O)O)(=O)O.C(C)NN>CCO[H].C(O)([O-])=O.[Na+]>C(C)N1N=C(C(=C1)C(=O)OCC)O | 3 |
NC1=NC=2CC(CC(C2C(=N1)C)=O)C=1C(=NC=CC1)Cl>>NC1=NC=2CC(CC(C2C(=N1)C)=O)C=1C=NC=CC1 | 5 |
[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([Cl:17])=[CH:14][CH:15]=2)[CH:10]=[C:9]1[CH:18]([N:22]([CH2:31][CH2:32][CH2:33][N:34]1C(=O)C2C(=CC=CC=2)C1=O)[C:23](=[O:30])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[CH:19]([CH3:21])[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.NN.O>CCO>[NH2:34][CH2:33][CH2:32][CH2:31][N:22]([CH:18]([C:9]1[N:8]([CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)[C:16]2[C:11]([CH:10]=1)=[CH:12][C:13]([Cl:17])=[CH:14][CH:15]=2)[CH:19]([CH3:21])[CH3:20])[C:23](=[O:30])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
ClCC(CN1C(CN(CC1)C(=O)OC(C)(C)C)=O)O>>ClCC(CN1C(CN(CC1)C(=O)OC(C)(C)C)=O)=O | 5 |
Cl.[O:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[C:10]([CH:11]3[CH2:16][CH2:15][N:14]([CH2:17][CH2:18][C@H:19]4[CH2:24][CH2:23][C@H:22]([NH2:25])[CH2:21][CH2:20]4)[CH2:13][CH2:12]3)[C:5]=2[O:4][CH2:3]1.[O:26]1[CH2:30][CH2:29][CH:28]([C:31](O)=[O:32])[CH2:27]1>>[O:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[C:10]([CH:11]3[CH2:16][CH2:15][N:14]([CH2:17][CH2:18][C@H:19]4[CH2:20][CH2:21][C@H:22]([NH:25][C:31]([CH:28]5[CH2:29][CH2:30][O:26][CH2:27]5)=[O:32])[CH2:23][CH2:24]4)[CH2:13][CH2:12]3)[C:5]=2[O:4][CH2:3]1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([Cl:28])[C:9]=1[N:10]1[CH:27]=[C:13]2[C:14]([NH:18][C:19]3[CH:24]=[C:23]([CH2:25][OH:26])[N:22]=[CH:21][N:20]=3)=[N:15][CH:16]=[CH:17][C:12]2=[N:11]1)[C:5]#[N:6].CCN(S(F)(F)[F:35])CC.C(#N)C>C(Cl)Cl.O>[OH-:26].[NH4+:6].[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([Cl:28])[C:9]=1[N:10]1[CH:27]=[C:13]2[C:14]([NH:18][C:19]3[CH:24]=[C:23]([CH2:25][F:35])[N:22]=[CH:21][N:20]=3)=[N:15][CH:16]=[CH:17][C:12]2=[N:11]1)[C:5]#[N:6] | 1 |
COC=1C=C(C(=O)Cl)C=CC1[N+](=O)[O-].NC1CCC(CC1)N(C)C>ClCCl.C(C)(C)N(C(C)C)CC>NC1=C(C=C(C(=O)NC2CCC(CC2)N(C)C)C=C1)OC | 3 |
S1C=NC2=C1C=C(N2)CO>>CC1=CC2=C(N=CS2)N1 | 5 |
FC(C1=CC=C2C(=CNC2=C1)CC(=O)N)(F)F.COC(C(=O)C=1C=C(C=C2C=CN(C12)C)C)=O>N(C)(C)C=O.CC(C)(C)[O-].[K+].C1CCCO1>CN1C=CC2=CC(=CC(=C12)C=1C(NC(C1C1=CNC2=CC(=CC=C12)C(F)(F)F)=O)=O)C | 3 |
ClC1=CC=NC2=CC=CC=C12.COC1=C(OCCCN)C=CC=C1>CCN(CC)CC.CN1C(CCC1)=O>COC1=C(OCCCNC2=CC=NC3=CC=CC=C23)C=CC=C1 | 3 |
C=C1CCC(CC1)C(=O)OC.CCCCCC.CCCCCCC.C(C)C1=CC=CC=C1>>C=C1CCC(CC1)C(CS(=O)(=O)C1=CC=C(C=C1)OCC1=CC(=NC2=CC=CC=C12)C)=O | 5 |
[CH2:1]([O:8][C:9](=[O:23])[C@@H:10]([CH2:19]C(O)=O)[NH:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC([O:27][CH2:28]C)=O.[N-:30]=[N+]=[N-].[Na+].[Na+].[Cl-]>C1COCC1.O>[O:27]=[C:28]1[NH:30][CH2:19][C@H:10]([C:9]([O:8][CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)=[O:23])[N:11]1[C:12]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:13] | 1 |
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=CC=C2C(=CN(C12)C)CCC(=O)O>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=CC=C2C(=CN(C12)C)CCCO | 5 |
ClC1=C(C=C(C=C1)[C@H](N[S@](=O)C(C)(C)C)C=1C=NN(C1)C)F>>Cl.ClC1=C(C=C(C=C1)[C@H](N)C=1C=NN(C1)C)F | 5 |
C(C1=CC=CC=C1)Br.C(C)OC(=O)C1=CC=C2C(=C(NC2=C1)C(C)(C)C)C(NCC1=CC(=C(C=C1)F)F)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC(=O)C1=CC=C2C(=C(N(C2=C1)CC1=CC=CC=C1)C(C)(C)C)C(NCC1=CC(=C(C=C1)F)F)=O | 3 |
O1C(OCC1)C1=CC=CC(=N1)N1CCOCC1>O.C(C)(=O)OCC.CC(=O)C.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>N1(CCOCC1)C1=CC=CC(=N1)C=O | 3 |
C1(OCCO1)=O.FC(C1=C(C=CC=C1)O)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC(C1=C(OCCO)C=CC=C1)(F)F | 3 |
[CH:1]1([N:6]2[CH2:12][C:11]([F:14])([F:13])[C:10](=[O:15])[NH:9][C:8]3[CH:16]=[N:17][C:18]([NH:20][C:21]4[CH:29]=[CH:28][C:24]([C:25]([OH:27])=O)=[CH:23][C:22]=4[O:30][CH3:31])=[N:19][C:7]2=3)[CH2:5][CH2:4][CH2:3][CH2:2]1.F[P-](F)(F)(F)(F)F.CN(C(N(C)C)=[N+]1C2C(=NC=CC=2)[N+]([O-])=N1)C.C(N(C(C)C)CC)(C)C.[CH3:65][N:66]([CH3:71])[CH2:67][CH2:68][CH2:69][NH2:70]>C(OCC)(=O)C.O.CN(C)C=O>[CH:1]1([N:6]2[CH2:12][C:11]([F:13])([F:14])[C:10](=[O:15])[NH:9][C:8]3[CH:16]=[N:17][C:18]([NH:20][C:21]4[CH:29]=[CH:28][C:24]([C:25]([NH:70][CH2:69][CH2:68][CH2:67][N:66]([CH3:71])[CH3:65])=[O:27])=[CH:23][C:22]=4[O:30][CH3:31])=[N:19][C:7]2=3)[CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
FC1=CC=C(C=C1)CCSC(C)=O>>FC1=CC=C(C=C1)CCS | 5 |
NC1C=CC(C2C=NN(CCCO)C=2)=CC=1C(N(CC)CC)=O.[NH2:24][C:25]1[C:26]([C:40]([NH:42][CH3:43])=[O:41])=[N:27][C:28](B2OC(C)(C)C(C)(C)O2)=[CH:29][CH:30]=1.Br[C:45]1[CH:46]=[N:47][N:48]([CH2:52][CH2:53][CH2:54][OH:55])[C:49]=1[C:50]#[N:51]>>[NH2:24][C:25]1[C:26]([C:40]([NH:42][CH3:43])=[O:41])=[N:27][C:28]([C:45]2[CH:46]=[N:47][N:48]([CH2:52][CH2:53][CH2:54][OH:55])[C:49]=2[C:50]#[N:51])=[CH:29][CH:30]=1 | 1 |
[C:1]([O:5][C:6](=[O:17])[NH:7][C@H:8]([CH:11]([OH:16])[C:12](=[NH:15])[NH:13][OH:14])[CH2:9][CH3:10])([CH3:4])([CH3:3])[CH3:2].[S:18]1[CH:22]=[CH:21][CH:20]=[C:19]1C(Cl)=O.[CH2:26](N(CC)CC)C>O1CCOCC1>[C:1]([O:5][C:6](=[O:17])[NH:7][C@H:8]([CH:11]([OH:16])[C:12]1[N:15]=[C:26]([C:20]2[CH:21]=[CH:22][S:18][CH:19]=2)[O:14][N:13]=1)[CH2:9][CH3:10])([CH3:2])([CH3:3])[CH3:4] | 1 |
N1=CC(=CC=C1)C1=NN=C(S1)N>O.Cl.C(C)(=O)O.N(=O)[O-].[Na+].[Cu]>ClC=1SC(=NN1)C=1C=NC=CC1 | 3 |
C(COCCO)O.C1(CCC1)C(=O)C1=CC=C(C=C1)SC>>C1(CCC1)CC1=CC=C(C=C1)SC | 5 |
Cl.[Br:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[O:15])/[CH:10]=[CH:11]/N(C)C)=[C:5]([OH:16])[CH:4]=1>ClCCl>[Br:2][C:3]1[CH:4]=[C:5]2[C:6]([C:9](=[O:15])[CH:10]=[CH:11][O:16]2)=[CH:7][CH:8]=1 | 1 |
C(C1=CC=CC=C1)(=O)OCCN1C=CC=2N=CN=C(C21)Cl.NC1=CC(=C(OC=2C=C(C(=O)OC)C=CC2)C=C1)Cl>>ClC1=C(OC=2C=C(C(=O)O)C=CC2)C=CC(=C1)NC=1C2=C(N=CN1)C=CN2CCO | 5 |
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