smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br[C:2]1[CH:3]=[CH:4][C:5]2[O:9][CH:8]([O:10][C:11](=[O:13])[CH3:12])[C:7]([CH3:15])([CH3:14])[C:6]=2[CH:16]=1.[CH3:17][N:18](C)C=O.[C-]#N.[Na+]>O>[C:17]([C:2]1[CH:3]=[CH:4][C:5]2[O:9][CH:8]([O:10][C:11](=[O:13])[CH3:12])[C:7]([CH3:15])([CH3:14])[C:6]=2[CH:16]=1)#[N:18] | 1 |
C(C)(C)(C)OC(=O)N1C2C(C3=CC(=CC=C3CC21)O)(CC)CC>>C(C)(C)(C)OC(N[C@@H]1C(C2=CC(=CC=C2C[C@H]1OC)O)(CC)CC)=O | 5 |
C(C1=CC=CC=C1)OCC[C@H]1C[C@H](C1)N1C2=NC=NC(=C2N=C1)N>>OCC[C@H]1C[C@H](C1)N1C2=NC=NC(=C2N=C1)N | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O>C1(=CC=NC=C1)N(C)C.c1ccncc1>CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
[CH:1]1[CH:2]=[CH:3][C:4]2[NH:15][C:14]3[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=3[CH:8]=[CH:7][C:5]=2[CH:6]=1.[C:16](OC(=O)C)(=[O:18])[CH3:17]>C(O)(=O)C.O>[C:16]([N:15]=[C:14]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]1[CH:8]=[CH:7][C:5]1[CH:4]=[CH:3][CH:2]=[CH:1][CH:6]=1)(=[O:18])[CH3:17] | 2 |
CC(CN1N=NC2=C1C=CC(=C2)[N+](=O)[O-])(C)C>>CC(CN1N=NC2=C1C=CC(=C2)N)(C)C | 5 |
[OH:1][C@@H:2]([C@H:4]1[C:10](=[O:11])[N:9]2[C@@H:5]1[C@@H:6]([CH3:53])[C:7]([S:25][C@@H:26]1[CH2:30][CH2:29][O:28][C@@H:27]1[CH2:31][NH:32][C:33](=[O:52])[C@@H:34]([NH:38]C(OCC1C=CC([N+]([O-])=O)=CC=1)=O)[CH:35]([CH3:37])[CH3:36])=[C:8]2[C:12]([O:14]CC1C=CC([N+]([O-])=O)=CC=1)=[O:13])[CH3:3].O>C(O)CCCC.[Pd]>[NH2:38][C@@H:34]([CH:35]([CH3:37])[CH3:36])[C:33]([NH:32][CH2:31][C@@H:27]1[C@H:26]([S:25][C:7]2[C@H:6]([CH3:53])[C@H:5]3[N:9]([C:10](=[O:11])[C@@H:4]3[C@H:2]([OH:1])[CH3:3])[C:8]=2[C:12]([OH:14])=[O:13])[CH2:30][CH2:29][O:28]1)=[O:52] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[O:9][CH3:10])[NH2:5].CO[CH:13]=[C:14]1[C:19](=[O:20])[O:18][C:17]([CH3:22])([CH3:21])[O:16][C:15]1=[O:23]>CC(O)C>[Br:1][C:2]1[CH:3]=[C:4]([NH:5][CH:13]=[C:14]2[C:15](=[O:23])[O:16][C:17]([CH3:21])([CH3:22])[O:18][C:19]2=[O:20])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10] | 1 |
C(C1=CC=CC=C1)N.BrCCCC(=O)OC>CC#N.O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N(CCCC(=O)OC)CCCC(=O)OC | 3 |
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([CH2:8][NH:9][C:10]([N:15]([CH3:17])[CH3:16])=[N:11][N+:12]([O-:14])=[O:13])=[CH:4][CH:3]=1.[H-].[Na+].[CH:20](OC(=O)C)=[O:21]>C1COCC1>[Cl:1][C:2]1[N:7]=[CH:6][C:5]([CH2:8][N:9]([CH:20]=[O:21])[C:10]([N:15]([CH3:17])[CH3:16])=[N:11][N+:12]([O-:14])=[O:13])=[CH:4][CH:3]=1 | 1 |
C(OC([N:8]([CH2:18][CH2:19][O:20][CH3:21])[C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=1)[C:12]([OH:14])=[O:13])=O)(C)(C)C.[ClH:22].C(OCC)(=O)C>C(OCC)(=O)C>[ClH:22].[CH3:21][O:20][CH2:19][CH2:18][NH:8][C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=1)[C:12]([OH:14])=[O:13] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:12][C:13]([NH:15][C:16]2[C:25]([CH3:26])=[CH:24][CH:23]=[C:22]3[C:17]=2[CH:18]=[CH:19][N:20]([C@H:28]([CH3:31])[CH2:29]O)[C:21]3=[O:27])=[O:14])[CH:5]=[CH:6][C:7]=1[C:8]([F:11])([F:10])[F:9].C(Cl)Cl.C1(C)C=CC=CC=1.C1C=CC(OP(OC2C=CC=CC=2)([N:51]=[N+:52]=[N-:53])=O)=CC=1.N12CCCN=C1CCCCC2>>[N:51]([CH2:29][C@H:28]([N:20]1[CH:19]=[CH:18][C:17]2[C:22](=[CH:23][CH:24]=[C:25]([CH3:26])[C:16]=2[NH:15][C:13](=[O:14])[CH2:12][C:4]2[CH:5]=[CH:6][C:7]([C:8]([F:11])([F:9])[F:10])=[C:2]([F:1])[CH:3]=2)[C:21]1=[O:27])[CH3:31])=[N+:52]=[N-:53] | 1 |
[N:1]1([C:7]2[CH:12]=[CH:11][C:10]([NH:13][C:14]([C:16]3[CH:17]=[C:18]([CH:30]=[CH:31][CH:32]=3)[CH2:19][S:20][CH2:21][CH2:22][C:23]([O:25]C(C)(C)C)=[O:24])=[O:15])=[C:9]([C:33]3[CH:38]=[C:37]([NH:39][CH2:40][C:41]4[CH:46]=[CH:45][CH:44]=[C:43]([C:47]([F:50])([F:49])[F:48])[CH:42]=4)[N:36]=[CH:35][N:34]=3)[CH:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(O)(C(F)(F)F)=O>ClC(Cl)C>[N:1]1([C:7]2[CH:12]=[CH:11][C:10]([NH:13][C:14]([C:16]3[CH:17]=[C:18]([CH:30]=[CH:31][CH:32]=3)[CH2:19][S:20][CH2:21][CH2:22][C:23]([OH:25])=[O:24])=[O:15])=[C:9]([C:33]3[CH:38]=[C:37]([NH:39][CH2:40][C:41]4[CH:46]=[CH:45][CH:44]=[C:43]([C:47]([F:50])([F:49])[F:48])[CH:42]=4)[N:36]=[CH:35][N:34]=3)[CH:8]=2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
CC1=C(C(=O)OC)C=CC(=C1)C=NNS(=O)(=O)C1=CC=C(C)C=C1.BrC1=C(C=C(C=C1)Br)CCO>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>BrC1=C(CCN(N=CC2=CC(=C(C(=O)OC)C=C2)C)S(=O)(=O)C2=CC=C(C)C=C2)C=C(C=C1)Br | 3 |
ClC=1C=CC(=NC1)[C@@](CC(=O)OC)(N[S@](=O)C(C)(C)C)C1=CC(=CC(=C1)C(F)(F)F)F>>ClC=1C=CC(=NC1)[C@@](CC(=O)N)(N[S@](=O)C(C)(C)C)C1=CC(=CC(=C1)C(F)(F)F)F | 5 |
[C:1]([N:8]1[CH:12]=[CH:11]N=C1)([N:3]1[CH:7]=[CH:6]N=[CH:4]1)=[O:2].[F:13][C:14]([F:25])([F:24])[O:15][C:16]1C=[CH:22][CH:21]=[CH:20][C:17]=1CN.C(N(C(C)C)CC)(C)C.Cl.[Cl:36][C:37]1[CH:49]=[CH:48][C:40]([O:41][CH:42]2[CH2:47]CNCC2)=[CH:39][CH:38]=1>>[F:13][C:14]([F:25])([F:24])[O:15][C:16]1[CH:17]=[CH:20][CH:21]=[CH:22][C:11]=1[CH2:12][NH:8][C:1]([N:3]1[CH2:4][CH2:47][CH:42]([O:41][C:40]2[CH:39]=[CH:38][C:37]([Cl:36])=[CH:49][CH:48]=2)[CH2:6][CH2:7]1)=[O:2] | 2 |
C(C)(C)(C)OC(=O)NCC(=O)O.Cl.O[C@@H]1C[C@H](NC1)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C>N(C)(C)C=O.C(=O)(C(F)(F)F)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>NCC(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C | 3 |
[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:16])=[C:11](F)[C:12]=3[F:14])[C:7](=[O:17])[C:6]([C:18]([OH:20])=[O:19])=[CH:5]2)[CH2:3][CH2:2]1.[OH:21][CH:22]1[CH2:26][CH2:25][NH:24][CH2:23]1>C(#N)C>[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:16])=[C:11]([N:24]4[CH2:25][CH2:26][CH:22]([OH:21])[CH2:23]4)[C:12]=3[F:14])[C:7](=[O:17])[C:6]([C:18]([OH:20])=[O:19])=[CH:5]2)[CH2:3][CH2:2]1 | 1 |
C([O:5][C:6]([C:8]1[C:9]([CH3:23])=[N:10][O:11][C:12]=1[C:13]1[CH:18]=[CH:17][C:16]([C:19]([O:21][CH3:22])=[O:20])=[CH:15][CH:14]=1)=[O:7])(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[CH3:22][O:21][C:19]([C:16]1[CH:15]=[CH:14][C:13]([C:12]2[O:11][N:10]=[C:9]([CH3:23])[C:8]=2[C:6]([OH:7])=[O:5])=[CH:18][CH:17]=1)=[O:20] | 2 |
Cl.C(C)N(CCC(=O)O)CC.NC1=CC(=C(C=C1)N1CCN(CC1)C(C(=O)NCC)C1=CC=CC=C1)F>>C(C)N(CCC(=O)NC1=CC(=C(C=C1)N1CCN(CC1)C(C1=CC=CC=C1)C(NCC)=O)F)CC | 5 |
C(C)(C)(C)OC(=O)N1[C@@H](C[C@H](C1)F)C(=O)NCC=1C(=NN(C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)OCC>CO[H].N>C(N)(=O)C1=NN(C=C1CNC(=O)[C@H]1N(C[C@@H](C1)F)C(=O)OC(C)(C)C)C1=CC=C(C=C1)C(F)(F)F | 3 |
Cl[C:2]1[C:3]2[CH2:10][C:9](=[O:11])[N:8]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)[C:4]=2[N:5]=[CH:6][N:7]=1.CN1C(=O)CCC1.Cl.Cl.[F:30][C:31]1[CH:36]=[CH:35][C:34]([C:37]2[N:38]=[C:39]([CH:47]3[CH2:52][CH2:51][NH:50][CH2:49][CH2:48]3)[N:40]([CH2:42][CH2:43][N:44]([CH3:46])[CH3:45])[CH:41]=2)=[CH:33][C:32]=1[C:53]([F:56])([F:55])[F:54].CCN(C(C)C)C(C)C.OP(O)(O)=O>>[CH3:45][N:44]([CH3:46])[CH2:43][CH2:42][N:40]1[CH:41]=[C:37]([C:34]2[CH:35]=[CH:36][C:31]([F:30])=[C:32]([C:53]([F:55])([F:54])[F:56])[CH:33]=2)[N:38]=[C:39]1[CH:47]1[CH2:48][CH2:49][N:50]([C:2]2[C:3]3[CH2:10][C:9](=[O:11])[N:8]([CH2:12][C:13]4[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=4)[C:4]=3[N:5]=[CH:6][N:7]=2)[CH2:51][CH2:52]1 | 1 |
[CH3:1][O:2][C:3]([C:5]1[CH:13]=[C:12]2[C:8]([C:9]([CH:14]=O)=[CH:10][NH:11]2)=[CH:7][CH:6]=1)=[O:4].[O:16]1[CH2:21][CH2:20][N:19]([C:22]2[CH:28]=[CH:27][C:25]([NH2:26])=[CH:24][CH:23]=2)[CH2:18][CH2:17]1.C([Sn](Cl)(Cl)CCCC)CCC.C1([SiH3])C=CC=CC=1>C1COCC1>[CH3:1][O:2][C:3]([C:5]1[CH:13]=[C:12]2[C:8]([C:9]([CH2:14][NH:26][C:25]3[CH:24]=[CH:23][C:22]([N:19]4[CH2:20][CH2:21][O:16][CH2:17][CH2:18]4)=[CH:28][CH:27]=3)=[CH:10][NH:11]2)=[CH:7][CH:6]=1)=[O:4] | 1 |
[Si](O[CH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]2[C:21]([C:22]([F:25])([F:24])[F:23])=[CH:20][C:19]([C:26]([F:29])([F:28])[F:27])=[CH:18][C:17]=2[C:30]([F:33])([F:32])[F:31])=[CH:12][N:11]=1)(C(C)(C)C)(C)C.Cl.C([O-])(O)=O.[Na+].O=S(Cl)[Cl:42]>C(Cl)Cl.CCO>[Cl:42][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]2[C:21]([C:22]([F:25])([F:24])[F:23])=[CH:20][C:19]([C:26]([F:29])([F:28])[F:27])=[CH:18][C:17]=2[C:30]([F:33])([F:32])[F:31])=[CH:12][N:11]=1 | 2 |
C(C)(C)(C)OC(N[C@H](CC1=CNC2=CC(=C(C=C12)F)Cl)C)=O>Cl>ClC1=C(C=C2C(=CNC2=C1)C[C@H](C)N)F | 3 |
C(CCC(=O)O)(=O)O.NC[C@]1(CN(CCC1)C1=C(C=CC(=C1C(F)(F)F)OC1=C(C=CC=C1)F)NC(=O)C1=NN(C=C1)C1=CN=NC=C1)F>O.CCO[H]>C(CCC(=O)O)(=O)O.NC[C@]1(CN(CCC1)C1=C(C=CC(=C1C(F)(F)F)OC1=C(C=CC=C1)F)NC(=O)C1=NN(C=C1)C1=CN=NC=C1)F | 3 |
[N+](=O)([O-])C1=CC(=C(C=C1)N1C(C=2C(C1=O)=CC(=CC2)Cl)=O)CSC>[HH].C(C)(=O)OCC.[Al].[Ni]>NC1=CC(=C(C=C1)N1C(C=2C(C1=O)=CC(=CC2)Cl)=O)CSC.NC1=CC(=C(C=C1)N1C(C=2C(C1=O)=CC(=CC2)Cl)=O)CS(=O)(=O)C.NC1=CC(=C(C=C1)N1C(C=2C(C1=O)=CC(=CC2)Cl)=O)CO | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[NH:11][C:12]([C:14]1[C:25](=[O:26])[NH:24][C:17]2[N:18]=[C:19]([O:22][CH3:23])[N:20]=[CH:21][C:16]=2[CH:15]=1)=[O:13].[Cl:27][C:28]1[CH:35]=[CH:34][CH:33]=[CH:32][C:29]=1[CH2:30]Br.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1>[Cl:27][C:28]1[CH:35]=[CH:34][CH:33]=[CH:32][C:29]=1[CH2:30][O:7][C:6](=[O:8])[C:5]1[CH:9]=[CH:10][C:2]([Cl:1])=[C:3]([NH:11][C:12]([C:14]2[C:25](=[O:26])[NH:24][C:17]3[N:18]=[C:19]([O:22][CH3:23])[N:20]=[CH:21][C:16]=3[CH:15]=2)=[O:13])[CH:4]=1 | 2 |
BrC=1C=C2CC(NC2=NC1)=O>N(C)(C)C=O.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C=1C=C2C(=NC1)NC(C2)=O)C | 3 |
[N:1]1([CH2:6][C:7]([CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]2)=[O:8])[CH2:5][CH2:4][CH2:3][CH2:2]1.[BH4-].[Na+].Cl>CO>[OH:8][CH:7]([CH:9]1[CH2:10][CH2:11][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:13][CH2:14]1)[CH2:6][N:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
FC1=CC=C(C=C1)C1=C(C(=NN1CCCC=O)C)C=1C=CC2=C(NC(CO2)=O)C1>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C(F)(F)F)(C)C>FC1=CC=C(C=C1)C1=C(C(=NN1CCCC(C(F)(F)F)O)C)C=1C=CC2=C(NC(CO2)=O)C1 | 3 |
CI.ClC=1C(=CN=NC1Cl)N1C[C@@H](CC1)NC(OC(C)(C)C)=O>>ClC=1C(=CN=NC1Cl)N1C[C@@H](CC1)N(C(OC(C)(C)C)=O)C | 5 |
[CH2:1]([O:3][C:4]([C:6]1[C:7]2[CH2:13][N:12](CC3C=CC=CC=3)[CH2:11][C:8]=2[NH:9][N:10]=1)=[O:5])[CH3:2]>C(O)C.O1CCCC1.[Pd]>[CH2:1]([O:3][C:4]([C:6]1[C:7]2[CH2:13][NH:12][CH2:11][C:8]=2[NH:9][N:10]=1)=[O:5])[CH3:2] | 2 |
NC1=CC=CC(=N1)N1CCN(CC1)C(=O)OC(C)(C)C>>NC1=C(C=C(C(=N1)N1CCN(CC1)C(=O)OC(C)(C)C)Cl)Cl | 5 |
ClC1=CC=CC=2N(C([C@H](COC21)NC(OC(C)(C)C)=O)=O)C>>Cl.N[C@H]1COC2=C(N(C1=O)C)C=CC=C2Cl | 5 |
ClC=1C=C(CNC2=C(C=C(C=C2)OC)C#CC(C)C2=CC=C(C=C2)CC(C)C)C=CC1>CC(C)(C)[O-].[K+].COCCOC>ClC=1C=C(CN2C(=CC3=CC(=CC=C23)OC)C(C)C2=CC=C(C=C2)CC(C)C)C=CC1 | 3 |
C(C=C)(=O)OC(C)(C)C.C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)OCC1=CC=CC=C1)Br)C1=C(C(=NO1)C)C1=CC=C(C=C1)OC>C(CCC)O.C(C)(C)N(C(C)C)CC.CC1=C([P](C2=C(C)C=CC=C2)([Pd]([P](C3=C(C)C=CC=C3)(C4=C(C)C=CC=C4)C(C=CC=C5)=C5C)(Cl)Cl)C6=C(C)C=CC=C6)C=CC=C1>C(C)(C)(C)OC(C=CC1=C(C=C(C(=C1)C1=C(C(=NO1)C)C1=CC=C(C=C1)OC)OCC1=CC=CC=C1)OCC1=CC=CC=C1)=O | 3 |
BrC1=C(C(N(C=C1)CCC1CC1)=O)C#N.ClC1=C(OC2CCOCC2)C=CC(=C1)B1OC(C(O1)(C)C)(C)C>>ClC=1C=C(C=CC1OC1CCOCC1)C1=C(C(N(C=C1)CCC1CC1)=O)C#N | 5 |
S1C(=NC2=C1C=CC=C2)NC2=CC=C(C=C2)O.FC1=NC=CC=C1C1CCC(CC1)=O>CN1C(CCC1)=O.C(=O)([O-])[O-].[Cs+].[Cs+]>S1C(=NC2=C1C=CC=C2)NC2=CC=C(OC1=NC=CC=C1C1CCC(CC1)=O)C=C2 | 3 |
[CH3:1][C:2]1[O:3][C:4]2[CH:10]=[CH:9][C:8]([C:11](=O)[CH2:12][C:13]([O:15]CC)=O)=[CH:7][C:5]=2[CH:6]=1.CC1C=CC(S(O)(=O)=O)=CC=1.[N:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[C:36]1[C:37]([NH2:42])=[N:38][NH:39][C:40]=1[NH2:41]>CCCCO>[NH2:42][C:37]1[C:36]([C:31]2[CH:32]=[CH:33][CH:34]=[CH:35][N:30]=2)=[C:40]2[NH:41][C:11]([C:8]3[CH:9]=[CH:10][C:4]4[O:3][C:2]([CH3:1])=[CH:6][C:5]=4[CH:7]=3)=[CH:12][C:13](=[O:15])[N:39]2[N:38]=1 | 2 |
FC(C1(OCC(O1)COS(=O)(=O)C1=CC=C(C)C=C1)C(F)(F)F)(F)F>N(C)(C)C=O.C1=CC=CC=C1.[N-]=[N+]=[N-].[Na+]>FC(C1(OCC(O1)CN=[N+]=[N-])C(F)(F)F)(F)F | 3 |
[O:1]=[C:2]1[C:10]2([C:22]3[C:13](=[CH:14][C:15]4[O:20][CH2:19][CH2:18][O:17][C:16]=4[CH:21]=3)[O:12][CH2:11]2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]1[CH2:23][C:24]1[CH:25]=[C:26]([CH:30]=[CH:31][CH:32]=1)[C:27](O)=[O:28].C(Cl)(=O)C(Cl)=O.Cl.[CH3:40][NH:41][CH3:42].C(N(CC)CC)C>C(Cl)(Cl)Cl.CN(C)C=O.ClCCl>[CH3:40][N:41]([CH3:42])[C:27](=[O:28])[C:26]1[CH:30]=[CH:31][CH:32]=[C:24]([CH2:23][N:3]2[C:4]3[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=3)[C:10]3([C:22]4[C:13](=[CH:14][C:15]5[O:20][CH2:19][CH2:18][O:17][C:16]=5[CH:21]=4)[O:12][CH2:11]3)[C:2]2=[O:1])[CH:25]=1 | 1 |
COC(=O)C=1C=C2C(=CN(C2=CC1)CC(COC1=CC=C(C=C1)CCCCCCCC)(OC)OC)C(CCCCC(=O)OC)=O>CO[H]>C(=O)(O)CCCCC(=O)C1=CN(C2=CC=C(C=C12)C(=O)O)CC(COC1=CC=C(C=C1)CCCCCCCC)=O | 3 |
C(C)OC(CN1CCN(CC1)C(C1=CC=CC=C1)=O)=O>>C(C1=CC=CC=C1)(=O)N1CCN(CC1)CC(=O)O | 5 |
O[C:2]1[C:7]([I:8])=[C:6]([CH3:9])[N:5]=[CH:4][N:3]=1.O=P(Cl)(Cl)[Cl:12]>>[Cl:12][C:2]1[C:7]([I:8])=[C:6]([CH3:9])[N:5]=[CH:4][N:3]=1 | 1 |
[C:1]([C:3]1[CH:4]=[C:5]([N:10]([CH2:15][C:16]2[CH:21]=[CH:20][C:19](I)=[CH:18][CH:17]=2)[C:11](=[O:14])[CH2:12][CH3:13])[CH:6]=[C:7]([F:9])[CH:8]=1)#[N:2].B(O)(O)[C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([S:30]([N:33]2[CH2:38][CH2:37][O:36][CH2:35][CH2:34]2)(=[O:32])=[O:31])[CH:25]=1>>[C:1]([C:3]1[CH:4]=[C:5]([N:10]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([C:28]3[CH:29]=[CH:24][CH:25]=[C:26]([S:30]([N:33]4[CH2:38][CH2:37][O:36][CH2:35][CH2:34]4)(=[O:32])=[O:31])[CH:27]=3)=[CH:18][CH:17]=2)[C:11](=[O:14])[CH2:12][CH3:13])[CH:6]=[C:7]([F:9])[CH:8]=1)#[N:2] | 2 |
COC=1C(=C(C(=CC1)C)N1C=C(C2=C1N=CC=1C=CC=CC21)C#N)C>O.CCO[H].C(C)(=O)OCC.CP(=O)C.CP(C)O.CP(C)O.[Pt]>COC=1C(=C(C(=CC1)C)N1C=C(C2=C1N=CC=1C=CC=CC21)C(=O)N)C | 3 |
[OH:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[CH2:12][CH2:13][CH3:14].Br[CH:16]([C:22]1[CH:27]=[CH:26][C:25]2[O:28][CH2:29][O:30][C:24]=2[CH:23]=1)[C:17]([O:19][CH2:20][CH3:21])=[O:18].C(=O)([O-])[O-].[K+].[K+].CC(C)=O>CCOCC>[C:6]([C:5]1[CH:10]=[CH:11][C:2]([O:1][CH:16]([C:22]2[CH:27]=[CH:26][C:25]3[O:28][CH2:29][O:30][C:24]=3[CH:23]=2)[C:17]([O:19][CH2:20][CH3:21])=[O:18])=[C:3]([CH2:12][CH2:13][CH3:14])[CH:4]=1)([O:8][CH3:9])=[O:7] | 1 |
C(C1=CN=CC=C1)(=O)OCC>>CN1C(C(CC1)C(C1=CN=CC=C1)=O)=O | 5 |
CN.ClCC=1N=CC2=CC=CC=C2C1>ClCCl>C1=NC(=CC2=CC=CC=C12)CNC | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:10]([O:12][CH2:13][CH3:14])=[O:11])[C:6]([CH3:9])=[CH:7][CH:8]=1.[Br:15]N1C(=O)CCC1=O>>[Br:15][CH2:9][C:6]1[C:5]([C:10]([O:12][CH2:13][CH3:14])=[O:11])=[CH:4][C:3]([O:2][CH3:1])=[CH:8][CH:7]=1 | 1 |
COCCOC.[CH3:7][S:8]([O:11][C:12]1[CH:17]=[CH:16][C:15]([C:18](=[O:29])[C:19]2[CH:24]=[CH:23][C:22]([N+:25]([O-])=O)=[C:21]([CH3:28])[CH:20]=2)=[CH:14][CH:13]=1)(=[O:10])=[O:9].[F:30][C:31]([Si](C)(C)C)([F:33])[F:32].[F-].[Cs+]>O>[CH3:7][S:8]([O:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]([C:19]2[CH:24]=[CH:23][C:22]([NH2:25])=[C:21]([CH3:28])[CH:20]=2)([OH:29])[C:31]([F:33])([F:32])[F:30])=[CH:14][CH:13]=1)(=[O:10])=[O:9] | 2 |
Br[C:2]1[C:12]2[O:11][CH2:10][CH2:9][N:8]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:7][C:6]=2[CH:5]=[CH:4][CH:3]=1.[F:20][C:21]1[CH:22]=[C:23](B(O)O)[CH:24]=[CH:25][CH:26]=1.C(O)C.C(=O)([O-])[O-].[Na+].[Na+]>C1(C)C=CC=CC=1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O>[F:20][C:21]1[CH:26]=[C:25]([C:2]2[C:12]3[O:11][CH2:10][CH2:9][N:8]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:7][C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH:24]=[CH:23][CH:22]=1 | 1 |
[Cl:1][C:2]1[N:7]=[C:6]2[S:8][C:9](=[O:11])[NH:10][C:5]2=[CH:4][CH:3]=1.CN1C(=O)CCC1.C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:26][CH:27]1[CH2:29][C:28]1([F:31])[F:30]>C(OCC)(=O)C.O1CCOCC1>[Cl:1][C:2]1[N:7]=[C:6]2[S:8][C:9](=[O:11])[N:10]([CH2:26][CH:27]3[CH2:29][C:28]3([F:31])[F:30])[C:5]2=[CH:4][CH:3]=1 | 1 |
[C:1]1([C@@H:7]([NH:9][C@H:10]2[C:14]3([CH2:16][CH2:15]3)[C:13](=O)[NH:12][CH2:11]2)[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O1CCCC1>[H-].[Al+3].[Li+].[H-].[H-].[H-]>[C:1]1([C@@H:7]([NH:9][C@H:10]2[C:14]3([CH2:16][CH2:15]3)[CH2:13][NH:12][CH2:11]2)[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
NC1(CS(C1)(=O)=O)C.FC(OC=1C=C(C=CC1)N1C(N(C=2C1=NC=C(C2)C(=O)O)C2=CC=C(C=C2)F)=O)F>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>FC(C(=O)O)(F)F.FC(OC=1C=C(C=CC1)N1C(N(C=2C1=NC=C(C2)C(=O)NC2(CS(C2)(=O)=O)C)C2=CC=C(C=C2)F)=O)F | 3 |
C1(CCC1)[C@@H](C)NC1=C2N(C(=NC2=NC(=N1)C(=O)O)C1(CCC1)C1=CC=CC=C1)C[C@@H]1CC[C@H](CC1)C>ClCCl.C(C(=O)Cl)(=O)Cl.NN>C1(CCC1)[C@@H](C)NC1=C2N(C(=NC2=NC(=N1)C(=O)NN)C1(CCC1)C1=CC=CC=C1)C[C@@H]1CC[C@H](CC1)C | 3 |
[C:1]([C:4]12[CH2:13][CH:8]3[CH2:9][CH:10]([CH2:12][CH:6]([CH2:7]3)[CH2:5]1)[CH2:11]2)(=[O:3])[CH3:2].[O:14]=O>C(O)(=O)C>[OH:14][C:6]12[CH2:12][CH:10]3[CH2:9][CH:8]([CH2:13][C:4]([C:1](=[O:3])[CH3:2])([CH2:11]3)[CH2:5]1)[CH2:7]2 | 2 |
P(=O)(SCC)(SCCCCCC)OC1=CC(=CC=C1)CC=O.C(C=C)C=1C=C(C(=O)NN)C=CC1>CO[H].ClCCl>P(=O)(SCC)(SCCCCCC)OC1=CC(=CC=C1)CC=NNC(C1=CC(=CC=C1)CC=C)=O | 3 |
[C]=O.C(C)(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC=C(N=C1OCC1CC1)Br>>C(C)(C)(C)OC(=O)N(C=1N=CC(=NC1OCC1CC1)C(=O)OC)C(=O)OC(C)(C)C | 5 |
N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.C(CCCCCCCCCCCCC)(=O)ON1C(CCC1=O)=O>O.C(C)OCC.COCCOC.C(O)([O-])=O.[Na+].CCCCCC.CCCC(C)C.CCC(C)CC>C(C)(C)(C)OC([C@H](CCC(=O)O)NC(CCCCCCCCCCCCC)=O)=O | 3 |
[N+](=O)([O-])C1=C(C=O)C=CC=C1>N(C)(C)C=O.Cl.C([O-])([O-])=O.[K+].[K+].C[Si](C(F)(F)F)(C)C>FC(C(C1=C(C=CC=C1)[N+](=O)[O-])O)(F)F | 3 |
COC1=C(C=CC(=C1)C=CN=O)OCC1=CC=CC=C1>C(C)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)CCN)OC | 3 |
BrC1=C(C=CC=C1Cl)C>O.ClCCl.CCO[H].BrN1C(CCC1=O)=O.N.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC1=C(C=CC=C1Cl)CN | 3 |
C1(CCCCC1)C(=O)O.O1CCNCC2=C1C=C(C=C2)C(=O)OC>>C1(CCCCC1)C(=O)N1CCOC2=C(C1)C=CC(=C2)C(=O)OC | 5 |
C(OC(OC([NH:11][C@H:12]([C:53]([O:55][CH:56]1[CH2:60][CH2:59][CH2:58][CH2:57]1)=[O:54])[CH2:13][CH2:14][CH2:15][C:16]1[CH:21]=[CH:20][C:19]([NH:22][C:23](=[O:52])[C:24]2[CH:29]=[CH:28][C:27]([NH:30][C:31]3[N:40]=[CH:39][C:38]4[N:37]([CH3:41])[C:36](=[O:42])[C@@H:35]([CH2:43][CH3:44])[N:34]([CH:45]5[CH2:49][CH2:48][CH2:47][CH2:46]5)[C:33]=4[N:32]=3)=[C:26]([O:50][CH3:51])[CH:25]=2)=[CH:18][CH:17]=1)=O)=O)(C)(C)C.Cl.O1CCOCC1>C(Cl)Cl>[CH:45]1([N:34]2[C:33]3[N:32]=[C:31]([NH:30][C:27]4[CH:28]=[CH:29][C:24]([C:23]([NH:22][C:19]5[CH:20]=[CH:21][C:16]([CH2:15][CH2:14][CH2:13][C@@H:12]([C:53]([O:55][CH:56]6[CH2:57][CH2:58][CH2:59][CH2:60]6)=[O:54])[NH2:11])=[CH:17][CH:18]=5)=[O:52])=[CH:25][C:26]=4[O:50][CH3:51])[N:40]=[CH:39][C:38]=3[N:37]([CH3:41])[C:36](=[O:42])[C@H:35]2[CH2:43][CH3:44])[CH2:46][CH2:47][CH2:48][CH2:49]1 | 2 |
CC1=C(C(=C2C(=N1)CN(C2)C(=O)OC(C)(C)C)C)C>CO[H].Cl.C(C)(=O)OCC>Cl.Cl.CC1=C(C(=C2C(=N1)CNC2)C)C | 3 |
C(C1=CC=CC=C1)OCCC1=CC2=C(OCO2)C=C1C>CCO[H].[Pd]C.C(C)(=O)O>CC=1C(=CC2=C(OCO2)C1)CCO | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[N:14]([C@@H:15]([CH3:25])[CH2:16][O:17][Si](C(C)(C)C)(C)C)[C:13]([CH2:26]Cl)=[N:12][C:7]=3[CH:8]=[N:9][C:10]=2[CH:11]=1.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.C1COCC1.C([O-])([O-])=O.[K+].[K+]>CO.C(Cl)Cl.O.ClCCCl>[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]3[N:14]4[C@@H:15]([CH3:25])[CH2:16][O:17][CH2:26][C:13]4=[N:12][C:7]=3[CH:8]=[N:9]2)=[CH:4][CH:3]=1 | 1 |
P([O-])(O)(O)=O.[K+].P(=O)(O)(O)O.[O:12]1[CH:16]=[CH:15][CH:14]=[C:13]1[CH:17]([CH:19]1[CH2:24][CH2:23][CH2:22][CH:21]=[CH:20]1)O.[OH-:25].[Na+].[Cl-].[Na+]>O>[CH:19]1([C:17]2[C:16](=[O:12])[CH2:15][CH:14]([OH:25])[CH:13]=2)[CH2:24][CH2:23][CH2:22][CH:21]=[CH:20]1 | 1 |
[CH3:1][C:2]([CH3:28])([CH3:27])[C:3]([O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12](=O)[C:13]2[CH:18]=[CH:17][C:16]([O:19][C:20](=[O:25])[C:21]([CH3:24])([CH3:23])[CH3:22])=[CH:15][CH:14]=2)=[CH:8][CH:7]=1)=[O:4].[OH:29][C:30]1[CH:31]=[C:32]([C:36](=O)[CH2:37][CH2:38][CH3:39])[CH:33]=[CH:34][CH:35]=1>[Zn].Cl[Ti](Cl)(Cl)Cl.C1COCC1>[CH3:1][C:2]([CH3:28])([CH3:27])[C:3]([O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]([C:13]2[CH:18]=[CH:17][C:16]([O:19][C:20](=[O:25])[C:21]([CH3:24])([CH3:23])[CH3:22])=[CH:15][CH:14]=2)=[C:36]([C:32]2[CH:33]=[CH:34][CH:35]=[C:30]([OH:29])[CH:31]=2)[CH2:37][CH2:38][CH3:39])=[CH:8][CH:7]=1)=[O:4] | 2 |
COC[C@@H](OC=1C=C(C=C(C1)OC=1C=NC(=CC1)S(=O)(=O)C)C1=CC=C(N1)C(=O)O)C.N[C@H]([C@H](O)C)CO>N(C)(C)C=O.Cl.CN(CCCN=C=NCC)C.CN1CCOCC1.O.ON1N=NC2=C1C=CC=C2>O[C@@H]([C@H](CO)NC(=O)C=1NC(=CC1)C1=CC(=CC(=C1)OC=1C=NC(=CC1)S(=O)(=O)C)O[C@H](COC)C)C | 3 |
ClCC1OC1.BrC1=CC=C(C(C=O)=C1)O>N1CCCCC1>BrC=1C=CC(=C(C=O)C1)OCC(CCl)O | 3 |
ClC=1C=C(N)C=CC1.ClC1=NC=2N(C(=C1)NC(OC(C)(C)C)=O)N=CC2C=O>O1CCOCC1.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>NC1=CC(=NC=2N1N=CC2C=O)NC2=CC(=CC=C2)Cl | 3 |
NC1=C(C=C(C(=C1)OCCOC)OCCOC)C(C)=O>>COCCOC=1C=C2C(=CC=NC2=CC1OCCOC)O | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH:13]2[CH2:17][C:16]3[CH:18]=[CH:19][CH:20]=[C:21](Br)[C:15]=3[O:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[CH3:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[C:25]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].CC1C=CC(S(OCC2CC3C(C4C=CC=CC=4)=CC=CC=3O2)(=O)=O)=CC=1>CC1C=CC=CC=1[P](C1C=CC=CC=1C)([Pd](Cl)(Cl)[P](C1=C(C)C=CC=C1)(C1C=CC=CC=1C)C1C=CC=CC=1C)C1C=CC=CC=1C>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH:13]2[CH2:17][C:16]3[CH:18]=[CH:19][CH:20]=[C:21]([C:25]4[C:26]([CH3:30])=[CH:27][CH:28]=[CH:29][C:24]=4[CH3:23])[C:15]=3[O:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1 | 2 |
O1[C@H](CCC=C1)CN>>O1[C@H](CCC=C1)CNC(=O)NCCN(C)C | 5 |
C(C)(C)(C)OC(CCN(CC(=O)N1CCC2=CC(=CC=C12)OCC1=CC(=C(C=C1)CC(C)C)OC(F)(F)F)C(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>OC(=O)C(F)(F)F.C(C(C)C)C1=C(C=C(COC=2C=C3CCN(C3=CC2)C(CNCCC(=O)O)=O)C=C1)OC(F)(F)F | 3 |
[OH-].[K+].[CH2:3]1[O:11][C:10]2[C:5](=[CH:6][C:7]([N+:15]([O-:17])=[O:16])=[C:8]([N+:12]([O-:14])=[O:13])[CH:9]=2)[O:4]1.[CH3:18][O:19][CH2:20]CO>>[N+:12]([C:8]1[C:7]([N+:15]([O-:17])=[O:16])=[CH:6][C:5]([OH:4])=[C:10]([O:11][CH2:3][CH2:18][O:19][CH3:20])[CH:9]=1)([O-:14])=[O:13] | 1 |
C([O:3][C:4]([CH:6]1[CH:10]2[CH2:11][O:12][CH2:13][C:14](=O)[N:9]2[CH2:8][CH2:7]1)=O)C.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.[OH-].[Na+]>C1COCC1.C(Cl)Cl>[CH2:11]1[CH:10]2[CH:6]([CH2:4][OH:3])[CH2:7][CH2:8][N:9]2[CH2:14][CH2:13][O:12]1 | 1 |
[CH2:1]([Mg]Br)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[CH2:13]([Si:21]([CH2:36][CH2:37][CH2:38][Si:39](Cl)(Cl)Cl)([CH2:29][CH2:30][CH2:31][Si:32](Cl)(Cl)Cl)[CH2:22][CH2:23][CH2:24][Si:25](Cl)(Cl)Cl)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].Cl>O1CCCC1>[CH2:13]([Si:21]([CH2:36][CH2:37][CH2:38][SiH2:39][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:7][CH2:8][CH3:9])([CH2:29][CH2:30][CH2:31][SiH2:32][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:4][CH2:5][CH3:6])[CH2:22][CH2:23][CH2:24][SiH2:25][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:1][CH2:2][CH3:3])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20] | 1 |
[C:1]([O:4][CH2:5][CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([N+:14]([O-])=O)=[CH:10][C:9]=1[O:17][CH3:18])(=[O:3])[CH3:2]>CCOC(C)=O.C1COCC1.[Pd]>[C:1]([O:4][CH2:5][CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([NH2:14])=[CH:10][C:9]=1[O:17][CH3:18])(=[O:3])[CH3:2] | 2 |
[H][H].Cl[C:4]1[CH:9]=[C:8]([C:10]([OH:12])=[O:11])[CH:7]=[C:6]([CH3:13])[N:5]=1.C(N(CC)CC)C>[Pd].C(O)C>[CH3:13][C:6]1[CH:7]=[C:8]([C:10]([OH:12])=[O:11])[CH:9]=[CH:4][N:5]=1 | 2 |
C(C)(C)(C)OC(C[C@@H](C(=O)O)CC=C)=O.NC1=C(C=CC=C1)[C@@H](C)O>>O[C@@H](CNC(=O)[C@H](CC(=O)OC(C)(C)C)CC=C)C1=CC=CC=C1 | 5 |
C([C@@H](O)C)(=O)O.C(C)C1=C(C=NN1C1=NC(=CC=C1)C=1C=CC=C2C(CN(C12)CC1=CC(=C(C=C1)C1CCNCC1)CC)C)C(=O)OCC>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(C)C1=C(C=NN1C1=NC(=CC=C1)C=1C=CC=C2C(CN(C12)CC1=CC(=C(C=C1)C1CCN(CC1)C([C@H](C)O)=O)CC)C)C(=O)OCC | 3 |
NCCCO.C(C)(=O)C1=CNC(C2=C(C=CC=C12)F)=O>>FC=1C=CC=C2C(=CNC(C12)=O)C(C)NCCCO | 5 |
O[CH2:2][CH:3]([CH3:12])[CH2:4][CH2:5][CH:6]([O:10][CH3:11])[CH:7]([CH3:9])[CH3:8].S(Cl)([Cl:15])=O.C1C=CC=CC=1>CN(C)C=O>[Cl:15][CH2:2][CH:3]([CH3:12])[CH2:4][CH2:5][CH:6]([O:10][CH3:11])[CH:7]([CH3:9])[CH3:8] | 1 |
BrC1=C(C=CC(=C1)[N+](=O)[O-])O.ClC(F)F>O.[OH-].[Na+].O1CCOCC1>BrC1=C(C=CC(=C1)[N+](=O)[O-])OC(F)F | 3 |
FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=C(N1)CCCO)C)=O>>FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=C(N1)CCC=O)C)=O | 5 |
C(C)OC(CN1C(C(=NC=C1)N[C@@H](CC1=CC=CC=C1)CN=[N+]=[N-])=O)=O>ClCCCl.ClN1C(CCC1=O)=O>C(C)OC(CN1C(C(=NC=C1Cl)N[C@@H](CC1=CC=CC=C1)CN=[N+]=[N-])=O)=O | 3 |
CS(O[CH:6]1[CH2:9][N:8]([C:10]2[S:11][CH:12]=[C:13]([C:15]([N:17]3[CH2:20][CH:19]([O:21][CH3:22])[CH2:18]3)=[O:16])[N:14]=2)[CH2:7]1)(=O)=O.[C:23]([O-:26])(=[S:25])[CH3:24].[K+]>CN(C)C=O>[C:23]([S:25][CH:6]1[CH2:7][N:8]([C:10]2[S:11][CH:12]=[C:13]([C:15]([N:17]3[CH2:18][CH:19]([O:21][CH3:22])[CH2:20]3)=[O:16])[N:14]=2)[CH2:9]1)(=[O:26])[CH3:24] | 1 |
C(C)(C)(C)OC(=O)NCCCBr.C(C1=CC=CC=C1)N1N=C2C(C(NC=3C=C4C(=CC23)CCCC4)=O)=C1C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)N1N=C2C(C(N(C=3C=C4C(=CC23)CCCC4)CCCNC(OC(C)(C)C)=O)=O)=C1C | 3 |
[CH:1]1[C:11]2[CH:10]=[CH:9][C:8]3[CH:12]=[CH:13][CH:14]=[CH:15][C:7]=3[C:6](=[O:16])[C:5]=2[CH:4]=[CH:3][C:2]=1[CH:17]([CH3:20])[CH:18]=[O:19].CC(C)=[O:23].CC(C)=O.OS(O)(=O)=O.O=[Cr](=O)=O>O>[CH:1]1[C:11]2[CH:10]=[CH:9][C:8]3[CH:12]=[CH:13][CH:14]=[CH:15][C:7]=3[C:6](=[O:16])[C:5]=2[CH:4]=[CH:3][C:2]=1[CH:17]([CH3:20])[C:18]([OH:23])=[O:19] | 1 |
N1C=CC2=CC=CC(=C12)NS(=O)(=O)C.O1C=CC2=C1C=CC=C2CCC(CC)O>>C(C)C(CC)(C1=CC=CC2=C1C=C(O2)C)C2=CNC1=C(C=CC=C21)NS(=O)(=O)C | 5 |
BrC=1N=C2C(=NC1)N(C=C2C=O)COCC[Si](C)(C)C.FC(OC=1C=C2C(=NN(C2=CC1)C)[Sn](CCCC)(CCCC)CCCC)F>>FC(OC=1C=C2C(=NN(C2=CC1)C)C=1N=C2C(=NC1)N(C=C2C=O)COCC[Si](C)(C)C)F | 5 |
CC=1C=C(C=CC1[N+](=O)[O-])CC(=O)O>CO[H].Cl>COC(CC1=CC(=C(C=C1)[N+](=O)[O-])C)=O | 3 |
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]([OH:8])=[O:7].[Li+].CC([N-]C(C)C)C.[P:17](Cl)([O:22][CH2:23][CH3:24])([O:19][CH2:20][CH3:21])=[O:18]>C1COCC1>[CH2:20]([O:19][P:17]([C:5]1[O:1][C:2]([C:6]([OH:8])=[O:7])=[CH:3][CH:4]=1)([O:22][CH2:23][CH3:24])=[O:18])[CH3:21] | 2 |
[C:1]([OH:7])([C:3]([F:6])([F:5])[F:4])=[O:2].C(OC(=O)[NH:14][C@@H:15]([C:25]1[CH:30]=[CH:29][C:28]([O:31][CH2:32][CH2:33][C@H:34]([CH:36]2[CH2:41][CH2:40][N:39]([C:42]3[O:46][N:45]=[C:44]([CH:47]([CH3:49])[CH3:48])[N:43]=3)[CH2:38][CH2:37]2)[CH3:35])=[CH:27][C:26]=1[CH3:50])[C:16]([N:18]1[CH2:22][CH2:21][CH2:20][C@H:19]1[C:23]#[N:24])=[O:17])(C)(C)C>C(Cl)Cl>[F:4][C:3]([F:6])([F:5])[C:1]([OH:7])=[O:2].[NH2:14][C@@H:15]([C:25]1[CH:30]=[CH:29][C:28]([O:31][CH2:32][CH2:33][C@H:34]([CH:36]2[CH2:41][CH2:40][N:39]([C:42]3[O:46][N:45]=[C:44]([CH:47]([CH3:49])[CH3:48])[N:43]=3)[CH2:38][CH2:37]2)[CH3:35])=[CH:27][C:26]=1[CH3:50])[C:16]([N:18]1[CH2:22][CH2:21][CH2:20][C@H:19]1[C:23]#[N:24])=[O:17] | 2 |
[C:1]([C:5]1[CH:9]=[C:8]([NH2:10])[N:7]([C:11]2[CH:16]=[CH:15][C:14]([CH2:17][OH:18])=[C:13](Cl)[CH:12]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].N1C=CN=C1.Cl[Si:26]([CH:33]([CH3:35])[CH3:34])([CH:30]([CH3:32])[CH3:31])[CH:27]([CH3:29])[CH3:28].C1C[O:39][CH2:38]C1>C(Cl)Cl>[C:1]([C:5]1[CH:9]=[C:8]([NH2:10])[N:7]([C:11]2[CH:16]=[CH:15][C:14]([CH2:17][O:18][Si:26]([CH:33]([CH3:35])[CH3:34])([CH:30]([CH3:32])[CH3:31])[CH:27]([CH3:29])[CH3:28])=[C:13]([O:39][CH3:38])[CH:12]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C)(C)(C)OC(=O)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=C(C=CC1F)C=1N=C(NC1C1=NC(=CC=C1)C)C(C)C>>FC1=C(C=C(C=C1)C1=C(CN(N1)C(C)C)C1=NC(=CC=C1)C)C=1C=NNC1 | 3 |
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