smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC=1C=C(C(=O)N)C=CC1.ClC=1N=NC(=CC1)C1=CC=CC=C1>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(=CC=CC=C1)C1=CC=C(N=N1)NC=1C=C(C(=O)N)C=CC1 | 3 |
S(=O)(=O)(OC)OC.COC(C1=C(C=CC=C1N1N=NNC1=O)C)=O>>COC(C1=C(C=CC=C1N1N=NN(C1=O)C)C)=O | 5 |
BrC=1C(=C(C=CC1)N1C(N(CC(C1=O)[Se]C1=CC=CC=C1)CC1=CC=C(C=C1)OC)=O)C>O(O[H])[H].O.C1CCCO1>BrC=1C(=C(C=CC1)N1C(N(C=CC1=O)CC1=CC=C(C=C1)OC)=O)C | 3 |
[CH3:1][C:2]1([CH3:13])[CH2:11][C:10](=[O:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[O:3]1>O.CC#N>[CH3:1][C:2]1([CH3:13])[CH2:11][C@H:10]([OH:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[O:3]1 | 1 |
[C:1](=[O:24])(OC1C=CC([N+]([O-])=O)=CC=1)[O:2][CH2:3][CH:4]1[CH2:9][CH2:8][N:7]([CH2:10][CH2:11][O:12][CH3:13])[CH2:6][CH2:5]1.CCN(C(C)C)C(C)C.[CH2:34]1[CH:38]2[CH2:39][CH:40]([NH2:41])[CH:36]([CH2:37]2)[CH2:35]1.[ClH:42].CCOCC>CN(C=O)C.CN(C1C=CN=CC=1)C.CO>[ClH:42].[CH:36]12[CH2:37][CH:38]([CH2:34][CH2:35]1)[CH2:39][CH:40]2[NH:41][C:1](=[O:24])[O:2][CH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][O:12][CH3:13])[CH2:8][CH2:9]1 | 2 |
[CH2:1]([N:3]([CH2:6][C:7]1[S:11][C:10]([C:12]([OH:14])=O)=[CH:9][C:8]=1[CH3:15])[CH2:4][CH3:5])[CH3:2].[OH:16][C:17]1[C:26]([CH3:27])=[CH:25][C:20]([C:21]([NH:23]O)=[NH:22])=[CH:19][C:18]=1[O:28][CH3:29]>>[CH2:4]([N:3]([CH2:6][C:7]1[S:11][C:10]([C:12]2[O:14][N:23]=[C:21]([C:20]3[CH:25]=[C:26]([CH3:27])[C:17]([OH:16])=[C:18]([O:28][CH3:29])[CH:19]=3)[N:22]=2)=[CH:9][C:8]=1[CH3:15])[CH2:1][CH3:2])[CH3:5] | 1 |
CC1CCNCC1.BrC(C(=O)OCC)C1=CC=CC=C1>CC#N.CCN(CC)CC>CC1CCN(CC1)C(C(=O)OCC)C1=CC=CC=C1 | 3 |
CS(C)=O.C(Cl)(=O)C(Cl)=O.[CH3:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH2:21][OH:22])=[CH:15][CH:14]=1.C(N(CC)CC)C>ClCCl>[CH3:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH:21]=[O:22])=[CH:15][CH:14]=1 | 1 |
[CH2:1]([O:3][CH:4]([C:21]1[C:30]([O:31][CH3:32])=[CH:29][C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[N:22]=1)[N:5]1[C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=2[N:7]=[C:6]1[NH:14][CH:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1)[CH3:2].[C:33](=[O:36])([O-])[O-:34].[K+].[K+].[C:39](#[N:41])[CH3:40]>CN(C=O)C>[CH2:1]([O:3][CH:4]([C:21]1[C:30]([O:31][CH3:32])=[CH:29][C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[N:22]=1)[N:5]1[C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=2[N:7]=[C:6]1[NH:14][CH:15]1[CH2:20][CH2:19][N:18]([CH2:40][CH:39]([NH:41][C:33](=[O:36])[O:34][C:28]([CH3:29])([CH3:23])[CH3:27])[CH:8]([CH3:13])[CH3:9])[CH2:17][CH2:16]1)[CH3:2] | 1 |
[C:1]1([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:6]=[CH:5][C:4]([C:7](=[O:13])[CH2:8][CH2:9][CH2:10][CH:11]=[CH2:12])=[CH:3][CH:2]=1.O>C(OCC)C>[C:1]1([C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:2]=[CH:3][C:4]([CH:7]([OH:13])[CH2:8][CH2:9][CH2:10][CH:11]=[CH2:12])=[CH:5][CH:6]=1 | 1 |
C(C)(C)(C)O.BrC=1C(=NC=CC1)C.NC=1N=CC=2CC(NC3=C(C2N1)C=C(C(=C3)Cl)CCCN(C)C)=O>CC(C)(C)[O-].[K+].[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.P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>ClC1=CC2=C(C3=C(CC(N2)=O)C=NC(=N3)NC=3C(=NC=CC3)C)C=C1CCCN(C)C | 3 |
BrC1=C(C=C(C=C1C)O)C.C(C#CCC)Br>N(C)(C)C=O.[H-].[Na+]>BrC1=C(C=C(C=C1C)OCC#CCC)C | 3 |
[OH:1][CH:2]1[CH:7]([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH2:15][CH2:16][CH2:17][O:18][CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=3[O:26][CH3:27])=[CH:10][CH:9]=2)[CH2:6][CH2:5][N:4]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:3]1.Cl[CH2:36][C:37]1[CH:46]=[C:45]([O:47][CH3:48])[C:44]2[C:39](=[CH:40][CH:41]=[CH:42][CH:43]=2)[C:38]=1[O:49][CH3:50]>>[CH3:50][O:49][C:38]1[C:39]2[C:44](=[CH:43][CH:42]=[CH:41][CH:40]=2)[C:45]([O:47][CH3:48])=[CH:46][C:37]=1[CH2:36][O:1][CH:2]1[CH:7]([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH2:15][CH2:16][CH2:17][O:18][CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=3[O:26][CH3:27])=[CH:10][CH:9]=2)[CH2:6][CH2:5][N:4]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:3]1 | 1 |
ClC1=C(C(=O)OC)C=C(C(=C1)OC)Cl>CCO[H].O.NN>ClC1=C(C(=O)NN)C=C(C(=C1)OC)Cl | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:13](/[CH:14]=[CH:15]/[C:16](O)=[O:17])=[C:12]([CH:19]([CH3:21])[CH3:20])[N:11]=[C:10]([N:22]([CH3:27])[S:23]([CH3:26])(=[O:25])=[O:24])[N:9]=2)=[CH:4][CH:3]=1.C(Cl)(=O)C([Cl:31])=O.ClCCl>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:13](/[CH:14]=[CH:15]/[C:16]([Cl:31])=[O:17])=[C:12]([CH:19]([CH3:21])[CH3:20])[N:11]=[C:10]([N:22]([CH3:27])[S:23]([CH3:26])(=[O:25])=[O:24])[N:9]=2)=[CH:4][CH:3]=1 | 2 |
FC1=CC2=C(N(C(N(C2=O)[C@@H]2CC[C@@H](CC2)NC(=O)C=2N=C3N(C=C(C=C3)F)C2)=O)C=2C=C(C=CC2)C2=CC=C(C=C2)CC2CCN(CC2)C(=O)OC(C)(C)C)N=C1>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=CC=2N(C1)C=C(N2)C(=O)N[C@@H]2CC[C@@H](CC2)N2C(N(C1=C(C2=O)C=C(C=N1)F)C=1C=C(C=CC1)C1=CC=C(C=C1)CC1CCNCC1)=O | 3 |
[Cl:1][C:2]1[CH:21]=[CH:20][C:5]([CH2:6][NH:7][C:8]2[N:19]=[CH:18][CH:17]=[CH:16][C:9]=2[C:10]([NH:12][CH2:13][C:14]#[CH:15])=[O:11])=[CH:4][CH:3]=1.[N:22]([CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[C:28]([O:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH:27]=1)=[N+:23]=[N-:24].O.O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>S([O-])([O-])(=O)=O.[Cu+2].C(O)(C)(C)C>[Cl:1][C:2]1[CH:21]=[CH:20][C:5]([CH2:6][NH:7][C:8]2[N:19]=[CH:18][CH:17]=[CH:16][C:9]=2[C:10]([NH:12][CH2:13][C:14]2[N:24]=[N:23][N:22]([CH2:25][C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([O:32][C:33]4[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=4)[CH:27]=3)[CH:15]=2)=[O:11])=[CH:4][CH:3]=1 | 1 |
CC(COC(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)OCC[Si](C)(C)C)C[C@H](C1)OC(=O)C=1N(C2=CC=CC(=C2C1)Br)C)(CCC=C)C>>CC(COC(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)OCC[Si](C)(C)C)C[C@H](C1)OC(=O)C=1N(C2=CC=CC(=C2C1)C=C)C)(CCC=C)C | 5 |
C(C1=CC=CC=C1)(=O)OCCCCN1N=NC(=C1)C(=O)OC(C)(C)C>C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)(=O)OCCCCN1N=NC(=C1)C(=O)O | 3 |
COC1=CC=C(C=C1)B(O)O.BrC=1C=C(C=O)C=CC1OCC1CC1>C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=CC=C1)C.C(C)O>C1(CC1)COC1=C(C=C(C=C1)C=O)C1=CC=C(C=C1)OC | 3 |
NC(C(=O)OCC)=NO.C1(=CC=CC=C1)CON1[C@@H]2CC[C@H](N(C1=O)C2)C(=O)O>>C(C1=CC=CC=C1)ON1[C@@H]2CC[C@H](N(C1=O)C2)C2=NC(=NO2)C(=O)OCC | 5 |
[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C(C(C)(C)O\C=C\CC(CC)(O[Si](CC)(CC)CC)CC)[C@]4(CC[C@@H]3[C@@]12C)C)O[Si](C)(C)C(C)(C)C>[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)C(C/C=C/OC(C)(C1=CC[C@H]2C3=CC=C4C[C@H](C[C@@H]([C@]4(C)[C@H]3CC[C@]12C)O)O)C)(CC)O | 3 |
FC=1C=C(C=C(C1)F)B(O)O.ClC=1C=C(C=2N(C1)C(=NN2)C(C=2C=C1C=C(C=NC1=CC2)OC)(F)F)F>>FC=1C=C(C=C(C1)F)C=1C=C(C=2N(C1)C(=NN2)C(C=2C=C1C=C(C=NC1=CC2)OC)(F)F)F | 5 |
CN.C1CCOC1.ClC=1C=C(C=CC1)S(=O)(=O)N1C(=C2C(=C1)C(CCCC2)=O)C2=C(C=CC=C2)F>CO[H].[Na+].[BH4-].CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C>ClC=1C=C(C=CC1)S(=O)(=O)N1C(=C2C(=C1)C(CCCC2)NC)C2=C(C=CC=C2)F | 3 |
[F:1][C:2]1[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[C:3]=1[C:4]([NH:6][C:7]1[C:8]([C:12](O)=O)=[N:9][NH:10][CH:11]=1)=[O:5].[Cl:20][C:21]1[N:26]=[CH:25][C:24]([NH2:27])=[C:23]([NH2:28])[CH:22]=1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(CC)CC>CN(C=O)C>[Cl:20][C:21]1[N:26]=[CH:25][C:24]2[N:27]=[C:12]([C:8]3[C:7]([NH:6][C:4](=[O:5])[C:3]4[C:2]([F:1])=[CH:18][CH:17]=[CH:16][C:15]=4[F:19])=[CH:11][NH:10][N:9]=3)[NH:28][C:23]=2[CH:22]=1 | 2 |
FC1(CC(CC1)N1N=CC(=C1)C(=O)[O-])F>O.CO[H].[OH-].[Na+].[Cl-].[NH4+]>FC1(CC(CC1)N1N=CC(=C1)C(=O)O)F | 4 |
NCC=1NC(C2=C(N1)CCOC2)=O.FC1=CC=C(C=C1)C1=NN=C(O1)C1CCN(CC1)CC(=O)O>CC#N>FC1=CC=C(C=C1)C1=NN=C(O1)C1CCN(CC1)CC(=O)NCC=1NC(C2=C(N1)CCOC2)=O | 3 |
[O:1]=[C:2]1[C:6]2[CH:7]=[CH:8][C:9]([C:11]3[N:12]=[C:13]4[C:19]5[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=5[NH:17][C:16]5[N:24]=[CH:25][CH:26]=[CH:27][C:15]=5[N:14]4[C:28]=3[C:29]3[CH:34]=[CH:33][C:32]([C:35]4([NH:39]C(=O)OC(C)(C)C)[CH2:38][CH2:37][CH2:36]4)=[CH:31][CH:30]=3)=[CH:10][C:5]=2[CH2:4][O:3]1.Cl.O1CCOCC1>CO>[NH2:39][C:35]1([C:32]2[CH:33]=[CH:34][C:29]([C:28]3[N:14]4[C:15]5[CH:27]=[CH:26][CH:25]=[N:24][C:16]=5[NH:17][C:18]5[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=5[C:13]4=[N:12][C:11]=3[C:9]3[CH:8]=[CH:7][C:6]4[C:2](=[O:1])[O:3][CH2:4][C:5]=4[CH:10]=3)=[CH:30][CH:31]=2)[CH2:36][CH2:37][CH2:38]1 | 1 |
CSC=1SC=C(N1)C(=O)O>>CSC=1SC=C(N1)C(=O)Cl | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.C(CCCCC)C1=C(OCC(CO)O)C=CC(=C1)CCCCCCCCCCCCCC>C(Cl)(Cl)(Cl)[H].c1ccncc1>C(CCCCC)C1=C(OCC(COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)O)C=CC(=C1)CCCCCCCCCCCCCC | 3 |
[C:1]1([CH:7]([C:15]2[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=2)[O:8][CH:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl[CH2:22][CH2:23][CH2:24][O:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[N+:32]([O-:34])=[O:33]>>[C:1]1([CH:7]([C:15]2[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=2)[O:8][CH:9]2[CH2:14][CH2:13][N:12]([CH2:22][CH2:23][CH2:24][O:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[N+:32]([O-:34])=[O:33])[CH2:11][CH2:10]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(OC[C:6]1[CH:11]=[C:10]([C:12]2[CH2:16][C:15]([C:21]3[CH:26]=[C:25]([Cl:27])[CH:24]=[C:23]([Cl:28])[CH:22]=3)([C:17]([F:20])([F:19])[F:18])[O:14][N:13]=2)[CH:9]=[CH:8][C:7]=1[B:29]1[O:33]C(C)(C)[C:31](C)(C)[O:30]1)(=O)C.O[Li].O.Cl>C1COCC1.O.CC(=O)OCC.Cl.CCO.O>[Cl:27][C:25]1[CH:26]=[C:21]([C:15]2([C:17]([F:19])([F:20])[F:18])[O:14][N:13]=[C:12]([C:10]3[CH:9]=[CH:8][C:7]4[B:29]([OH:33])[O:30][CH2:31][C:6]=4[CH:11]=3)[CH2:16]2)[CH:22]=[C:23]([Cl:28])[CH:24]=1 | 1 |
ClCCCl.[N:5]([C:8]1[C:17]([C:18]2[CH:23]=[CH:22][C:21]([N:24]3[CH2:29][CH2:28][O:27][CH2:26][CH2:25]3)=[CH:20][CH:19]=2)=[N:16][C:15]([Br:30])=[CH:14][C:9]=1[C:10]([O:12][CH3:13])=[O:11])=[N+]=[N-]>C(Cl)Cl.CCCCCCCC(O)=O.CCCCCCCC(O)=O.CCCCCCCC(O)=O.CCCCCCCC(O)=O.[Rh].[Rh]>[Br:30][C:15]1[CH:14]=[C:9]([C:10]([O:12][CH3:13])=[O:11])[C:8]2[NH:5][C:19]3[CH:20]=[C:21]([N:24]4[CH2:29][CH2:28][O:27][CH2:26][CH2:25]4)[CH:22]=[CH:23][C:18]=3[C:17]=2[N:16]=1 | 1 |
Cl[C:2]1[CH:7]=[N:6][CH:5]=[C:4]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=2)[N:3]=1.[F:19][C:20]1[CH:26]=[CH:25][C:23]([NH2:24])=[CH:22][CH:21]=1.[C:27](=O)([O-])[O-:28].[Na+].[Na+]>C1(C)C(C)=CC=CC=1.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.C1(P(C2C=CC=CC=2)C2[C-](C(P(C(C)(C)C)C(C)(C)C)C)C=CC=2)C=CC=CC=1.[CH-]1C=CC=C1.[Fe+2]>[F:19][C:20]1[CH:26]=[CH:25][C:23]([NH:24][C:27]([C:2]2[CH:7]=[N:6][CH:5]=[C:4]([O:8][C:9]3[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=3)[N:3]=2)=[O:28])=[CH:22][CH:21]=1 | 1 |
Cl.CNC.ClCC1=CC=C(C(=O)NC=2C=CC(=NC2)OC(N(C2=CC=CC=C2)C)=O)C=C1>>CN(C)CC1=CC=C(C(=O)NC=2C=CC(=NC2)OC(N(C2=CC=CC=C2)C)=O)C=C1 | 5 |
BrC1=NC=CC(=C1N)OC.C(#C)C1=CC(=NC=C1)NC(C)=O>>NC=1C(=NC=CC1OC)C#CC1=CC(=NC=C1)NC(C)=O | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6].[CH3:10][N:11]1[CH2:16][CH2:15][CH:14](O)[CH2:13][CH2:12]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1>[CH3:10][N:11]1[CH2:16][CH2:15][CH:14]([O:1][C:2]2[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=2)[C:5]#[N:6])[CH2:13][CH2:12]1 | 1 |
FC(C=1C=C(C=CC1)O)(F)F.CC1=CC2=C(N=C(N=C2S(=O)(=O)C)OCC(F)(F)F)S1>>CC1=CC2=C(N=C(N=C2OC2=CC(=CC=C2)C(F)(F)F)OCC(F)(F)F)S1 | 5 |
C(C1=CC=CC=C1)(=O)OCC1=CN(C2=CC=CC=C12)C(C1=CC=CC=C1)=O.C(C1=CC=CC=C1)(=O)OC1C(N(C2=CC=C(C=C12)Cl)CCC)=O>>C(C1=CC=CC=C1)(=O)OC1(C(N(C2=CC=C(C=C12)Cl)CCC)=O)CC1=CNC2=CC=CC=C12 | 5 |
Cl.[NH2:2][C:3]1[C:8]([CH3:9])=[CH:7][CH:6]=[CH:5][C:4]=1[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[CH3:16][N:17]([CH3:20])[C:18]#[N:19]>C1C(O)=CC=CC=1C>[CH3:16][N:17]([CH3:20])[C:18]([NH:2][C:3]1[C:8]([CH3:9])=[CH:7][CH:6]=[CH:5][C:4]=1[C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1)=[NH:19] | 1 |
N(C(OC[CH:11]1[C:23]2[C:18](=CC=C[CH:22]=2)[C:17]2[C:12]1=[CH:13][CH:14]=[CH:15][CH:16]=2)=O)[C@H](C(O)=O)C.C1C=CC2N(O)N=[N:30]C=2C=1.C(N=C=NC(C)C)(C)C.N(C(OCC1C2C(=CC=CC=2)C2C1=CC=CC=2)=O)[C@H](C(O)=O)C.C[N:67]([CH:69]=[O:70])C>CN(C=O)C>[NH2:30][C@H:22]([C:69]([NH2:67])=[O:70])[CH:23]([CH3:11])[CH3:18].[CH2:12]1[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1 | 2 |
[F:1][C:2]1[C:11]([OH:12])=[C:10]([F:13])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].C(=O)([O-])[O-].[K+].[K+].Cl[CH:21]([F:23])[F:22].Cl>CN(C)C=O.O.C(OCC)(=O)C>[F:1][C:2]1[C:11]([O:12][CH:21]([F:23])[F:22])=[C:10]([F:13])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]2[C:17]3[O:16][CH:15]([CH2:18][NH2:19])[CH2:14][C:13]=3[CH:12]=[CH:11][CH:10]=2)[CH:6]=[CH:7][CH:8]=1.C(N(C(C)C)CC)(C)C.Cl[C:30]([O:32][CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)=[O:31].C(OC(=O)NCC1CC2C=CC=C(C3CCCC3)C=2O1)C1C=CC=CC=1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]2[C:17]3[O:16][CH:15]([CH2:18][NH:19][C:30](=[O:31])[O:32][CH2:33][C:34]4[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=4)[CH2:14][C:13]=3[CH:12]=[CH:11][CH:10]=2)[CH:6]=[CH:7][CH:8]=1 | 2 |
C(\C=C\C)(=O)OCC>O.C(C)OCC.BrN1C(CCC1=O)=O.O1CCOCC1>BrC(C(=O)OCC)C(C)O | 3 |
FC1(CCC(CC1)NC1=CC(=NC(=N1)N1N=C(C=C1)CF)COC1CN(C1)C(=O)OC(C)(C)C)F>ClCCl.C(=O)(C(F)(F)F)O>N1CC(C1)OCC1=CC(=NC(=N1)N1N=C(C=C1)CF)NC1CCC(CC1)(F)F | 3 |
C1(CC1)S(=O)(=O)N.C(=O)(OC(C)(C)C)[C@]1([C@](C1)(C=C)N)C(=O)O>C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.C1CCC2=NCCCN2CC1>C(C)(C)(C)OC(=O)N[C@]1([C@@H](C1)C=C)C(=O)NS(=O)(=O)C1CC1 | 3 |
FC(C=1C=C(CBr)C=CC1)(F)F>O.CCO[H].[C-]#N.[K+]>FC(C=1C=C(C=CC1)CC#N)(F)F | 3 |
CC1=C(N=NC(=C1C)C1=CC=CC=C1)N1C[C@@H](N(CC1)C(=O)OC(C)(C)C)C>>CC1=C(N=NC(=C1C)C1=CC=CC=C1)N1C[C@@H](NCC1)C | 5 |
NC=1N=C(C2=C(N1)C(N(C2)CC2=CC=CC=C2)=O)O>O.N(=O)[O-].[Na+]>C(C1=CC=CC=C1)N1C(C=2N=C(N=C(C2C1)O)O)=O | 3 |
[F:1][C:2]([F:15])([F:14])[S:3]([O:6]S(C(F)(F)F)(=O)=O)(=[O:5])=[O:4].[OH:16][C:17]1[N:18]=[N:19][C:20](O)=[CH:21][CH:22]=1.CO>N1C=CC=CC=1.C(OCC)(=O)C>[F:1][C:2]([F:15])([F:14])[S:3]([O:6][C:20]1[CH:21]=[CH:22][C:17](=[O:16])[NH:18][N:19]=1)(=[O:5])=[O:4] | 2 |
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:17]([OH:19])=[O:18])[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:20](Cl)(=O)[C:21](Cl)=O.C([C@:33](O)([CH2:37][C:38](=[O:40])[NH2:39])[C:34](O)=[O:35])C1C=CC=CC=1.[N:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1>>[CH2:47]([NH:42][C:34](=[O:35])[C@@H:33]([O:18][C:17](=[O:19])[C@H:9]([CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])[CH2:37][C:38]([NH2:39])=[O:40])[C:46]1[CH:21]=[CH:20][CH:43]=[CH:44][CH:45]=1 | 1 |
NC1=CC=C(C=N1)CCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C.Cl.C(C)C1CCNCC1>N(C)(C)C=O.ClCCl.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>NC1=CC=C(C=N1)CCC[C@@H](C(=O)C1CNCCC1CC)NC(OC(C)(C)C)=O | 3 |
C(N(CC)CC)C.[N+:8]([C:11]1[CH:19]=[CH:18][C:14]([C:15](Cl)=[O:16])=[CH:13][CH:12]=1)([O-:10])=[O:9].[CH3:20][S:21]([CH3:24])(=[NH:23])=[O:22]>ClCCl>[CH3:20][S:21]([CH3:24])(=[N:23][C:15](=[O:16])[C:14]1[CH:18]=[CH:19][C:11]([N+:8]([O-:10])=[O:9])=[CH:12][CH:13]=1)=[O:22] | 2 |
[F:1][C:2]([F:14])([F:13])[O:3][C:4]1[CH:9]=[CH:8][C:7]([CH:10]([NH2:12])[CH3:11])=[CH:6][CH:5]=1.C[O:16][C:17](=O)[C:18]1[C:23]([I:24])=[CH:22][C:21]([F:25])=[CH:20][C:19]=1[CH2:26]Br.C([O-])([O-])=O.[K+].[K+]>C1(C)C=CC=CC=1>[F:25][C:21]1[CH:20]=[C:19]2[C:18](=[C:23]([I:24])[CH:22]=1)[C:17](=[O:16])[N:12]([CH:10]([C:7]1[CH:6]=[CH:5][C:4]([O:3][C:2]([F:13])([F:14])[F:1])=[CH:9][CH:8]=1)[CH3:11])[CH2:26]2 | 1 |
BrC=1C=CC(=NC1)[C@@H](C)N[S@](=O)C(C)(C)C>CO[H].Cl>Cl.Cl.BrC=1C=CC(=NC1)[C@@H](C)N | 3 |
[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([S:29][C:30]([CH3:39])([CH3:38])[C:31]([O:33]C(C)(C)C)=[O:32])=[CH:25][CH:24]=1)[C:6]1[CH:11]=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=2)[N:9]=[CH:8][N:7]=1.[ClH:40]>O1CCOCC1>[ClH:40].[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH2:22][C:23]1[CH:24]=[CH:25][C:26]([S:29][C:30]([CH3:39])([CH3:38])[C:31]([OH:33])=[O:32])=[CH:27][CH:28]=1)[C:6]1[CH:11]=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:20])([F:19])[F:21])[CH:13]=2)[N:9]=[CH:8][N:7]=1 | 2 |
C(C)OC(=C)C1=C(N)C(=CC(=C1)F)C(F)(F)F>C1CCCO1.Cl>NC1=C(C=C(C=C1C(F)(F)F)F)C(C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:13][CH:14]([F:16])[F:15])=[C:6]([CH:8]([CH2:11][OH:12])[C:9]#[N:10])[CH:7]=1.[OH:17][CH2:18][CH2:19]C#N>>[C:18]([O:12][CH2:11][CH:8]([C:6]1[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=1[O:13][CH:14]([F:15])[F:16])[C:9]#[N:10])(=[O:17])[CH3:19] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([CH2:14][N:15]2[CH:19]=[N:18][CH:17]=[N:16]2)([CH2:12][CH3:13])[C:9](N)=[O:10])=[CH:4][CH:3]=1.S(=O)(=O)(O)[OH:21]>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([CH2:14][N:15]2[CH:19]=[N:18][CH:17]=[N:16]2)([CH2:12][CH3:13])[C:9]([OH:21])=[O:10])=[CH:4][CH:3]=1 | 1 |
[OH:1][C@H:2]([C:38]1[C:46]2[S:45][C:44](=[O:47])[NH:43][C:42]=2[C:41]([OH:48])=[CH:40][CH:39]=1)[CH2:3][N:4]([CH2:12][CH2:13][S:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:37][CH2:36][C:24]2([O:29][CH2:28][CH2:27][N:26](C(=O)C(F)(F)F)[CH2:25]2)[CH2:23][CH2:22]1)[C:5](=[O:11])[O:6][C:7]([CH3:10])([CH3:9])[CH3:8].C(=O)([O-])[O-].[K+].[K+]>CO.O>[O:29]1[C:24]2([CH2:23][CH2:22][N:21]([CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][S:14][CH2:13][CH2:12][N:4]([CH2:3][C@H:2]([OH:1])[C:38]3[C:46]4[S:45][C:44](=[O:47])[NH:43][C:42]=4[C:41]([OH:48])=[CH:40][CH:39]=3)[C:5](=[O:11])[O:6][C:7]([CH3:10])([CH3:9])[CH3:8])[CH2:37][CH2:36]2)[CH2:25][NH:26][CH2:27][CH2:28]1 | 1 |
[CH3:1][NH:2][CH2:3][C@H:4]([OH:13])[C@@H:5]([OH:12])[C@H:6]([OH:11])[C@H:7]([OH:10])[CH2:8][OH:9].[C:14]([C:16]1[C:24]2[C:19](=[CH:20][CH:21]=[C:22]([CH2:25][CH2:26][NH:27][C:28](=[O:42])[C:29]3[CH:34]=[CH:33][C:32]([C:35]4[CH:40]=[CH:39][N:38]=[C:37](Cl)[N:36]=4)=[CH:31][CH:30]=3)[CH:23]=2)[NH:18][CH:17]=1)#[N:15]>>[C:14]([C:16]1[C:24]2[C:19](=[CH:20][CH:21]=[C:22]([CH2:25][CH2:26][NH:27][C:28](=[O:42])[C:29]3[CH:34]=[CH:33][C:32]([C:35]4[CH:40]=[CH:39][N:38]=[C:37]([N:2]([CH3:1])[CH2:3][C@H:4]([OH:13])[C@@H:5]([OH:12])[C@H:6]([OH:11])[C@H:7]([OH:10])[CH2:8][OH:9])[N:36]=4)=[CH:31][CH:30]=3)[CH:23]=2)[NH:18][CH:17]=1)#[N:15] | 1 |
C(N(CC)CC)C.Cl[C:9](=[O:15])[C:10]([O:12][CH2:13][CH3:14])=[O:11].[Cl:16][C:17]1[CH:23]=[CH:22][C:20]([NH2:21])=[CH:19][CH:18]=1.C(=O)([O-])O.[Na+]>C(Cl)Cl>[Cl:16][C:17]1[CH:23]=[CH:22][C:20]([NH:21][C:9](=[O:15])[C:10]([O:12][CH2:13][CH3:14])=[O:11])=[CH:19][CH:18]=1 | 1 |
C(C)(C)(C)OC(\C=C\C1=CC2=C(NC(CN(C2)CCCN2CCOCC2)=O)N=C1)=O>ClCCl.C(=O)(C(F)(F)F)O>Cl.N1(CCOCC1)CCCN1CC(NC2=C(C1)C=C(C=N2)/C=C/C(=O)O)=O | 3 |
[OH:1][C@@:2]1([CH2:22][O:23][CH3:24])[CH2:7][CH2:6][CH2:5][CH2:4][C@H:3]1[N:8]1[C:12]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[C:11]([C:19]([OH:21])=O)[N:10]=[CH:9]1.[CH2:25]([N:32]1[CH2:37][CH2:36][NH:35][C@H:34]([CH2:38][C:39]2[N:40]=[CH:41][NH:42][CH:43]=2)[CH2:33]1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.C(=O)([O-])O.[Na+]>CN(C=O)C>[CH2:25]([N:32]1[CH2:37][CH2:36][N:35]([C:19]([C:11]2[N:10]=[CH:9][N:8]([C@@H:3]3[CH2:4][CH2:5][CH2:6][CH2:7][C@:2]3([CH2:22][O:23][CH3:24])[OH:1])[C:12]=2[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:21])[C@H:34]([CH2:38][C:39]2[N:40]=[CH:41][NH:42][CH:43]=2)[CH2:33]1)[C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=1 | 2 |
NCCCN.BrC1=C(C(=C(C2=C1N=C(N2)Br)Br)Br)Br>>NCCCNC1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br | 5 |
C(OC([NH:8][C@@H:9]([CH3:12])[CH2:10][OH:11])=O)(C)(C)C.O[C:14]1[CH:23]=[CH:22][C:17]([C:18]([O:20][CH3:21])=[O:19])=[CH:16][C:15]=1[N+:24]([O-:26])=[O:25].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1>[N+:24]([C:15]1[CH:16]=[C:17]([CH:22]=[CH:23][C:14]=1[O:11][CH2:10][C@@H:9]([NH2:8])[CH3:12])[C:18]([O:20][CH3:21])=[O:19])([O-:26])=[O:25] | 1 |
[CH3:1][C:2]([Si:5]([CH3:26])([CH3:25])[O:6][C@H:7]1[CH2:12][C@@H:11]([CH2:13]O)[CH2:10][N:9]([C:15]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[O:16])[CH2:8]1)([CH3:4])[CH3:3].[C:27]1(=[O:37])[NH:31][C:30](=[O:32])[C:29]2=[CH:33][CH:34]=[CH:35][CH:36]=[C:28]12.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>C1COCC1>[CH3:1][C:2]([Si:5]([CH3:25])([CH3:26])[O:6][C@H:7]1[CH2:12][C@@H:11]([CH2:13][N:31]2[C:27](=[O:37])[C:28]3[C:29](=[CH:33][CH:34]=[CH:35][CH:36]=3)[C:30]2=[O:32])[CH2:10][N:9]([C:15]([O:17][CH2:18][C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)=[O:16])[CH2:8]1)([CH3:4])[CH3:3] | 1 |
C(C)(=O)OC(C)=O.S1CCCC2=CC=CC=C12>ClCCl.[Al](Cl)(Cl)Cl>S1CCCC2=C1C=CC(=C2)C(C)=O | 3 |
[H-].[Na+].[C:3]([O:9][CH3:10])(=[O:8])[C:4]([O:6]C)=O.[CH3:11][C:12](=[O:22])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].Cl>C1COCC1.CCOC(C)=O.CO>[OH:6]/[C:4](=[CH:11]\[C:12](=[O:22])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])/[C:3]([O:9][CH3:10])=[O:8] | 2 |
ClC1=CC=C2[C@@]3(CCOC2=C1)CN(C1=C(OC3)C=CC(=C1)C(=O)OC)C[C@H]1[C@@H](CC1)CO>O.ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>ClC1=CC=C2[C@@]3(CCOC2=C1)CN(C1=C(OC3)C=CC(=C1)C(=O)OC)C[C@H]1[C@@H](CC1)C=O | 3 |
C(=O)OCC.Cl.Cl.COCCOC1=NC(=CC=C1NC(=O)C1=COC2=C1C(NC(C2)(C)C)=O)N2CCNCC2>>C(=O)N1CCN(CC1)C1=CC=C(C(=N1)OCCOC)NC(=O)C1=COC2=C1C(NC(C2)(C)C)=O | 5 |
FC(F)(F)C(OC(=O)C(F)(F)F)=O.[CH2:14]([O:21][C:22]1[C:26]([O:27][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[C:25]([C:35]([NH2:37])=O)[N:24]([C:38]2[CH:43]=[CH:42][C:41]([O:44][CH3:45])=[CH:40][CH:39]=2)[C:23]=1[C:46]([N:48]([CH3:50])[CH3:49])=[O:47])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C(N(CC)CC)C>C(Cl)Cl>[CH2:14]([O:21][C:22]1[C:26]([O:27][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[C:25]([C:35]#[N:37])[N:24]([C:38]2[CH:43]=[CH:42][C:41]([O:44][CH3:45])=[CH:40][CH:39]=2)[C:23]=1[C:46]([N:48]([CH3:49])[CH3:50])=[O:47])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
C[O:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][C@@H:18]([CH3:27])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])=[C:13]([N+:28]([O-:30])=[O:29])[CH:12]=2)=[CH:7][CH:6]=1)=[O:4].C1COCC1.O.[OH-].[Li+].Cl>O.CO>[CH3:27][C@H:18]([O:17][C:14]1[CH:15]=[CH:16][C:11]([C:8]2[CH:9]=[CH:10][C:5]([C:3]([OH:4])=[O:2])=[CH:6][CH:7]=2)=[CH:12][C:13]=1[N+:28]([O-:30])=[O:29])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26] | 1 |
[Br-].O1C(OCC1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.N1=C(N=CC=C1)C1=CC=C(C=O)C=C1>>N1=C(N=CC=C1)C1=CC=C(C=C1)/C=C/C=O | 5 |
C(C(C)C)O.ClCC=1N=C2C(=C3NC4=CC=C(C=C4OC13)C(F)(F)F)C=CC(=N2)C2=NC=CC=C2C(F)(F)F>[H-].[Na+]>C(C(C)C)OCC=1N=C2C(=C3NC4=CC=C(C=C4OC13)C(F)(F)F)C=CC(=N2)C2=NC=CC=C2C(F)(F)F | 3 |
[CH2:1]=[C:2]1[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.[Br:9][CH2:10][S:11](Br)(=[O:13])=[O:12]>C(Cl)Cl>[Br:9][CH2:10][S:11]([CH:1]=[C:2]1[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1)(=[O:13])=[O:12] | 1 |
[H-].[Na+].[OH:3][N:4]1[C:8](=[O:9])[C:7]2=[CH:10][CH:11]=[CH:12][CH:13]=[C:6]2[C:5]1=[O:14].Br[CH2:16][C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18]>CN(C)C=O>[O:9]=[C:8]1[C:7]2[C:6](=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:5](=[O:14])[N:4]1[O:3][CH2:16][C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18] | 2 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[N:11]=[C:12]=[O:13].Cl.[C:15]([N:22]1[CH2:27][CH2:26][CH:25]([NH2:28])[CH2:24][CH2:23]1)([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16].C(N(CC)CC)C>C(Cl)Cl>[C:18]([O:17][C:15]([N:22]1[CH2:27][CH2:26][CH:25]([NH:28][C:12]([NH:11][C:2]2[CH:3]=[CH:4][C:5]3[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=3)[CH:1]=2)=[O:13])[CH2:24][CH2:23]1)=[O:16])([CH3:21])([CH3:19])[CH3:20] | 2 |
C(=O)(O)C=1C=C2CC(NC2=CC1)=O.N1(CCCC1)CCCC=1C=C2C=C(NC2=CC1)C=O>>O=C1NC2=CC=C(C=C2C1=CC=1NC2=CC=C(C=C2C1)CCCN1CCCC1)C(=O)O | 5 |
FC1=NC=CC(=C1)C(C(=O)N)O>C1CCCO1.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OC(C(=O)N)C1=CC(=NC=C1)F | 3 |
C1(=CC=CC=C1)NS(=O)(=O)C(F)(F)F.ClC1=C(C=C2CC(C(C2=C1Cl)=O)(C)C1CCCC1)O>N(C)(C)C=O.ClCCl.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C=C2CC(C(C2=C1Cl)=O)(C)C1CCCC1)OS(=O)(=O)C(F)(F)F | 3 |
BrC1=CC=C2C3=CC=C4C5=C(C=CC(C=6C=CC=C1C26)=C53)C(=O)N(C4=O)C4=C(C=CC=C4C(C)C)C(C)C.C(C)(=O)OCCCCC#C>[Cu]I.C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N1CCCCC1>C(C)(C)C1=C(C(=CC=C1)C(C)C)N1C(=O)C=2C=CC=3C=4C=CC=C5C(=CC=C(C6=CC=C(C2C63)C1=O)C54)C#CCCCCOC(C)=O | 3 |
Br[C:2]1[C:3](=[O:15])[N:4]([C@H:9]([CH2:12][O:13][CH3:14])[CH2:10][CH3:11])[CH:5]=[C:6]([Br:8])[N:7]=1.[Cl:16][C:17]1[CH:18]=[C:19]2[C:23](=[C:24]([Cl:26])[CH:25]=1)[NH:22][CH2:21][CH2:20]2>>[Br:8][C:6]1[N:7]=[C:2]([N:22]2[C:23]3[C:19](=[CH:18][C:17]([Cl:16])=[CH:25][C:24]=3[Cl:26])[CH2:20][CH2:21]2)[C:3](=[O:15])[N:4]([C@H:9]([CH2:12][O:13][CH3:14])[CH2:10][CH3:11])[CH:5]=1 | 1 |
C(C)(C)(C)OC(=O)C1(C(C=CC1=O)CC(=O)OC)C\C=C/CC>CO[H].[Na+].[BH4-].C(C)(=O)O>C(C)(C)(C)OC(=O)C1(C(CCC1CC(=O)OC)O)C\C=C/CC | 3 |
C(C)(C)(C)C1=C(C=CC(=C1)C(C)(C)C)O.COC1=C(C=C(C=C1)C)O>CO[H].FC(C(C(F)(F)F)O)(F)F.COS(=O)(=O)[O-].C[N+](CC)(CC)CC>OC1=C(C=C(C=C1OC)C)C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O | 3 |
BrC1=CC=C(C=C1)F.C(=C)N(C(C)=O)C>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CS(=O)C.C=1C=CC(=CC1)P(CCCP(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4.F[B-](F)(F)F.C(CCC)[N+]1=CN(C=C1)C>FC1=CC=C(C=C1)C(=C)N(C(C)=O)C | 3 |
[S:1]1[C:5]2[CH2:6][CH2:7][CH2:8][CH2:9][C:4]=2[N:3]=[C:2]1[C:10]1[C:14]([C:15](O)=[O:16])=[CH:13][N:12]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:25])([CH3:24])[CH3:23])[N:11]=1.[CH3:26][N:27]1[CH2:32][CH2:31][CH:30]([NH2:33])[CH2:29][CH2:28]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:26][N:27]1[CH2:32][CH2:31][CH:30]([NH:33][C:15]([C:14]2[C:10]([C:2]3[S:1][C:5]4[CH2:6][CH2:7][CH2:8][CH2:9][C:4]=4[N:3]=3)=[N:11][N:12]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:25])[CH3:24])[CH:13]=2)=[O:16])[CH2:29][CH2:28]1 | 2 |
C(C)(C)(C)OC(N[C@@H](C(=O)N1CCN(CC1)C1=C(C=CC(=C1)Cl)C)CC1=C(C=C(C=C1)Cl)Cl)=O>ClCCl.C(=O)(C(F)(F)F)O>N[C@@H](C(=O)N1CCN(CC1)C1=C(C=CC(=C1)Cl)C)CC1=C(C=C(C=C1)Cl)Cl | 3 |
OC1=NC=CC=C1.BrC=1SC=C(N1)Br>N(C)(C)C=O.C([O-])([O-])=O.[Ag+2]>BrC=1N=C(SC1)OC1=NC=CC=C1 | 3 |
[NH2:1][C@@H:2]([CH2:6][CH2:7][C@H:8]([NH2:30])[CH2:9][C@@H:10]1[C@@H:14]([OH:15])[C@@H:13]([O:16]CC#C)[C@H:12]([N:20]2[CH:28]=[N:27][C:26]3[C:21]2=[N:22][CH:23]=[N:24][C:25]=3[NH2:29])[O:11]1)[C:3]([OH:5])=[O:4]>CO.O.CC(O)=O>[CH:23]1[N:24]=[C:25]([NH2:29])[C:26]2[N:27]=[CH:28][N:20]([C@@H:12]3[O:11][C@H:10]([CH2:9][C@@H:8]([NH2:30])[CH2:7][CH2:6][C@H:2]([NH2:1])[C:3]([OH:5])=[O:4])[C@@H:14]([OH:15])[C@H:13]3[OH:16])[C:21]=2[N:22]=1 | 1 |
C1(=CC=CC=C1)SSC1=CC=CC=C1.C(C1=CC=CC=C1)OCN1C=NC(=C1SC1=CC=CC=C1)C>C1CCCO1.C(CCC)[Li].CCCCCC>C1(=CC=CC=C1)SC=1N(C(=C(N1)C)SC1=CC=CC=C1)COCC1=CC=CC=C1 | 3 |
CI.FC1=C(OC2=C(C=NC(=C2)NC=2SC=C(N2)C)O)C(=CC=C1)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC1=C(OC2=CC(=NC=C2OC)NC=2SC=C(N2)C)C(=CC=C1)F | 3 |
C1COCCN1.BrC1=CC(=CC(=C1)C(F)(F)F)[N+](=O)[O-]>>[N+](=O)([O-])C=1C=C(C=C(C1)C(F)(F)F)N1CCOCC1 | 5 |
C([O:4][CH2:5][C:6]1[CH:11]=[C:10]([O:12][C@@H:13]2[CH2:17][CH2:16][O:15][CH2:14]2)[CH:9]=[C:8]([CH3:18])[C:7]=1[C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([CH2:25][O:26][C:27]2[CH:40]=[CH:39][C:30]3[C@H:31]([CH2:34][C:35]([O:37]C)=[O:36])[CH2:32][O:33][C:29]=3[CH:28]=2)[CH:20]=1)(=O)C.[OH-].[Li+].O.[OH-].[Na+]>CO.O1CCCC1>[OH:4][CH2:5][C:6]1[CH:11]=[C:10]([O:12][C@@H:13]2[CH2:17][CH2:16][O:15][CH2:14]2)[CH:9]=[C:8]([CH3:18])[C:7]=1[C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([CH2:25][O:26][C:27]2[CH:40]=[CH:39][C:30]3[C@H:31]([CH2:34][C:35]([OH:37])=[O:36])[CH2:32][O:33][C:29]=3[CH:28]=2)[CH:20]=1 | 1 |
[F:1][C:2]([F:26])([F:25])[C:3]1[C:8]2[CH2:9][O:10][C@@H:11]3[C@H:15]([C:7]=2[CH:6]=[C:5]([CH:23]=[CH2:24])[CH:4]=1)[CH2:14][N:13]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:12]3>CO.[Pd]>[CH2:23]([C:5]1[CH:4]=[C:3]([C:2]([F:25])([F:26])[F:1])[C:8]2[CH2:9][O:10][C@@H:11]3[C@H:15]([C:7]=2[CH:6]=1)[CH2:14][N:13]([C:16]([O:18][C:19]([CH3:20])([CH3:22])[CH3:21])=[O:17])[CH2:12]3)[CH3:24] | 2 |
FC=1C(=NC=CC1)CNC(=O)C=1N=C(OC1)C=C.Cl.Cl.Cl.N1=CC(=CC=C1)C#CC1=CC2=C(NC(=N2)CCN)C=C1>O.Cl.[OH-].[Na+]>FC=1C(=NC=CC1)CNC(=O)C=1N=C(OC1)CCNCCC1=NC2=C(N1)C=CC(=C2)C#CC=2C=NC=CC2 | 3 |
C(=S)=S.ClCCC(=O)Cl.CC1(CC(NC2=CC=CC=C12)=O)C>[Al](Cl)(Cl)Cl>ClCCC(=O)C=1C=C2C(CC(NC2=CC1)=O)(C)C | 3 |
[O:1]=[C:2]1[N:6]([C:7]2[CH:12]=[CH:11][C:10]([C:13]3([C:16]([N:18]4[CH2:22][CH2:21][C@@:20]5([C:30]6[CH:29]=[CH:28][N:27]=[CH:26][C:25]=6[C:24](=[O:31])[O:23]5)[CH2:19]4)=[O:17])[CH2:15][CH2:14]3)=[CH:9][CH:8]=2)[C:5]2[CH:32]=[CH:33][CH:34]=[CH:35][C:4]=2[NH:3]1.[CH3:36]S(C)=O.C(=O)([O-])[O-].[K+].[K+].CI>>[CH3:36][N:3]1[C:4]2[CH:35]=[CH:34][CH:33]=[CH:32][C:5]=2[N:6]([C:7]2[CH:12]=[CH:11][C:10]([C:13]3([C:16]([N:18]4[CH2:22][CH2:21][C@@:20]5([C:30]6[CH:29]=[CH:28][N:27]=[CH:26][C:25]=6[C:24](=[O:31])[O:23]5)[CH2:19]4)=[O:17])[CH2:15][CH2:14]3)=[CH:9][CH:8]=2)[C:2]1=[O:1] | 1 |
Cl.[Cl:2][C:3]1[CH:4]=[C:5]([C:9](=[NH:13])OCC)[CH:6]=[CH:7][CH:8]=1.[NH3:14]>>[ClH:2].[Cl:2][C:3]1[CH:4]=[C:5]([CH:6]=[CH:7][CH:8]=1)[C:9]([NH2:13])=[NH:14] | 1 |
COC1=C(C=C(C=C1)NC1=NC(=CC(=N1)NC)C)C1=NN2C(C=NC=C2)=N1>CO[H].[HH].[Pt](=O)=O>COC1=C(C=C(C=C1)NC1=NC(=CC(=N1)NC)C)C=1NN2C(=CNCC2)N1 | 3 |
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