smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl[C@@H](C(=O)OC)C.ClC1=C(CC=2C(NC3=C(C=CC(=C3C2C)O)F)=O)C=CC(=C1)Cl>>COC([C@H](C)OC1=C2C(=C(C(NC2=C(C=C1)F)=O)CC1=C(C=C(C=C1)Cl)Cl)C)=O | 5 |
[Mg].II.[CH2:4](Cl)[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[CH2:12]([O:19][C:20]1[CH:21]=[C:22]([CH:25]=[CH:26][CH:27]=1)[C:23]#N)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.Cl.C([O:31]CC)C>>[CH2:12]([O:19][C:20]1[CH:21]=[C:22]([C:23]([CH2:4][C:5]2[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=2)=[O:31])[CH:25]=[CH:26][CH:27]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
FC1=CN=C(C(=N1)C#N)S(=O)(=O)C1=CC=CC=C1>[F-].[K+].CS(=O)C.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC=1C(=NC(=CN1)F)C#N | 3 |
[CH3:1][O:2][C:3]1[C:16]([O:17][CH3:18])=[CH:15][CH:14]=[C:13]([C:19]2[CH:20]=[C:21]3[C:25](=[CH:26][CH:27]=2)[C:24](=[O:28])[O:23][CH2:22]3)[C:4]=1[O:5][CH2:6][C:7]([CH3:12])([CH3:11])[C:8]([OH:10])=O.Cl.C[N:31](C)[CH2:32][CH2:33][CH2:34]N=C=NCC.C(N(CC)CC)C.O.ON1C2C=CC=CC=2N=N1.C(N)CC>ClCCl.O>[CH3:1][O:2][C:3]1[C:16]([O:17][CH3:18])=[CH:15][CH:14]=[C:13]([C:19]2[CH:20]=[C:21]3[C:25](=[CH:26][CH:27]=2)[C:24](=[O:28])[O:23][CH2:22]3)[C:4]=1[O:5][CH2:6][C:7]([CH3:11])([CH3:12])[C:8]([NH:31][CH2:32][CH2:33][CH3:34])=[O:10] | 1 |
C1(CC1)COC1=C(C=C(C=C1)CO)C(F)(F)F>C1(=CC=CC=C1)C.O.ClS(Cl)=O>ClCC1=CC(=C(C=C1)OCC1CC1)C(F)(F)F | 3 |
NC1=C(N=CC(=N1)N1CC2C(C2CC1)CN1C(C2=CC=CC=C2C1=O)=O)SC=1C(=NC=CC1)C(F)(F)F>CCO[H].N>NCC1C2CCN(CC12)C1=CN=C(C(=N1)N)SC=1C(=NC=CC1)C(F)(F)F | 3 |
C(C)(=O)OCC(CN1C([C@H](O[C@@H](C2=C1C=CC(=C2)Cl)C2=C(C(=CC=C2)OC)OC)C/C(=N/O)/N)=O)(C)C>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>C(C)(=O)OCC(CN1C([C@H](O[C@@H](C2=C1C=CC(=C2)Cl)C2=C(C(=CC=C2)OC)OC)CC2=NOC(N2)=O)=O)(C)C | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)N.ClC1=C2C(=NC=N1)N(N=C2)C2OCCCC2>C(C)(C)O.C(C)(C)N(C(C)C)CC>O1C(CCCC1)N1N=CC=2C1=NC=NC2NC2CCN(CC2)C(=O)OCC2=CC=CC=C2 | 3 |
C(C)(=O)Cl.BrC1=CC=2N(C[C@@H](NC2C=N1)C)S(=O)(=O)C1=CC=C(C)C=C1>ClCCl.C(C)(C)N(C(C)C)CC>BrC1=CC2=C(N([C@H](CN2S(=O)(=O)C2=CC=C(C)C=C2)C)C(C)=O)C=N1 | 3 |
FC1=CC=C(C=C1)B(O)O.ClC1=CC(=NC2=C(C(=CC=C12)C)F)C(=O)OC>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC=1C(=CC=C2C(=CC(=NC12)C(=O)OC)C1=CC=C(C=C1)F)C | 3 |
CN.N1=CC(=CC=C1)\C=C\C(\C=C\C=1C=NC=CC1)=O>N(C)(C)C=O>CN1C(CC(CC1C=1C=NC=CC1)=O)C=1C=NC=CC1 | 3 |
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1COC2=C(O1)C=CC=C2.CN1N=CC2=C1CN(C2=O)[C@@H]2CNCCC2>CC#N.C([O-])([O-])=O.[K+].[K+]>O1C2=C(OC[C@@H]1CN1C[C@H](CCC1)N1CC=3N(N=CC3C1=O)C)C=CC=C2 | 3 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[S:12]1[CH:16]=[CH:15][CH:14]=[C:13]1[CH2:17][C:18]([NH:20][CH:21]1[C:53](=[O:54])[N:23]2[CH:24]([C:37]([O:39][CH:40]([C:47]3[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=3)[C:41]3[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=3)=[O:38])[C:25]([CH2:29][S:30][C:31]3[N:35]([CH3:36])[N:34]=[N:33][N:32]=3)=[C:26]([CH3:28])[S:27][C@H:22]12)=[O:19]>C(Cl)Cl>[S:12]1[CH:16]=[CH:15][CH:14]=[C:13]1[CH2:17][C:18]([NH:20][CH:21]1[C:53](=[O:54])[N:23]2[C:24]([C:37]([O:39][CH:40]([C:47]3[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=3)[C:41]3[CH:42]=[CH:43][CH:44]=[CH:45][CH:46]=3)=[O:38])=[C:25]([CH2:29][S:30][C:31]3[N:35]([CH3:36])[N:34]=[N:33][N:32]=3)[C@@H:26]([CH3:28])[S:27](=[O:9])[C@H:22]12)=[O:19] | 1 |
C(C)[C@@H](\C=C\C(=O)OC)NC(=O)[C@H]1N(CCCC1)C(=O)OC(C)(C)C>>CC(C)(C)OC(=O)N1[C@@H](CCCC1)C(=O)N[C@H](/C=C/C(=O)O)CC | 5 |
N(=[N+]=[N-])CC1CN(C(O1)=O)C=1C=CC2=C(CC(CCC2)=O)C1>[HH].[Pd]>NCC1CN(C(O1)=O)C=1C=CC2=C(CC(CCC2)=O)C1 | 3 |
S1C(=CC=C1)C(=O)NC(C(=O)OCC)C>CO[H].NN>N(N)C(C(C)NC(=O)C=1SC=CC1)=O | 3 |
[NH2:1][C:2]1[C:12]([Cl:13])=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[C:4]([O:14][CH3:15])[CH:3]=1.[C:16](OC(=O)C)(=[O:18])[CH3:17].O>CN(C=O)C>[C:16]([NH:1][C:2]1[C:12]([Cl:13])=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[C:4]([O:14][CH3:15])[CH:3]=1)(=[O:18])[CH3:17] | 2 |
FC1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC(C)(C)O)N=CC2C#N.N1CC(C1)OC=1C=CC(=NC1)OC(F)F>C(=O)(C(F)(F)F)O.CCN(CC)CC.CN(C(C)=O)C>FC(C(=O)O)(F)F.FC(OC1=CC=C(C=N1)OC1CN(C1)C1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC(C)(C)O)N=CC2C#N)F | 3 |
F[C@@H]1[C@H](CN(CC1)C=1C=CC(=NC1)NC=1C=CC(=C2CN(C(C12)=O)C(=O)OC(C)(C)C)C1=CN=C2N1C=CN=C2)O>ClCCl.Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>F[C@@H]1[C@H](CN(CC1)C=1C=CC(=NC1)NC=1C=CC(=C2CNC(C12)=O)C1=CN=C2N1C=CN=C2)O | 3 |
CC1=C(C=CC=C1)[Mg]Br.C1(=CC=CC=C1)C=1C(=C(C=CC1)C)C(=O)C=1N(C=NC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>ClCCl>CC1=C(C=CC=C1C)C(O)(C1=CN=CN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)C(O)(C=1N(C=NC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C=CC=C1)C | 3 |
BrC=1C=CC(=C(C1)C(C(=O)OC)C(=O)C1=CC=C(C=C1)F)O>Cl.CC(=O)C>BrC=1C=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)OC)C1 | 3 |
BrCC=1C=C(C#N)C=CC1.NC1=C(C=CC=C1)/C=C/C(=O)OC>>C(#N)C=1C=C(CNC2=C(C=CC=C2)/C=C/C(=O)OC)C=CC1 | 5 |
C(C1=CC=CC=C1)(=O)OC(C1=CC=CC=C1)=O.C(C)(=O)O[C@@H](C=C)C#CC#C[C@@H](CCCCCCCCC)N>ClCCl.CCN(CC)CC>C(C)(=O)O[C@@H](C=C)C#CC#C[C@@H](CCCCCCCCC)NC(C1=CC=CC=C1)=O | 3 |
FC1=C(C=CC=C1)NC(NC1=C(C=C(C=C1)CC(=O)N1C(CCC1)CN(C)C1=C(C=C(C(=O)OC)C=C1)[N+](=O)[O-])OC)=O>>NC=1C=C(C(=O)OC)C=CC1N(C)CC1N(CCC1)C(CC1=CC(=C(C=C1)NC(=O)NC1=C(C=CC=C1)F)OC)=O | 5 |
N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.OCC1CC(C1)C1=NN=C(S1)C(=O)OCC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C)(C)(C)OC(=O)N(C(=O)OC(C)(C)C)CC1CC(C1)C1=NN=C(S1)C(=O)OCC | 3 |
[NH2:1][C:2]1[CH:11]=[C:10]([C:12](OC)=[O:13])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[Li+].[B-](CC)(CC)CC>C1COCC1>[NH2:1][C:2]1[CH:11]=[C:10]([CH2:12][OH:13])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5] | 1 |
[CH:1]([CH:3]1[CH2:7][O:6][C:5]([CH3:9])([CH3:8])[N:4]1[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])=O.[CH:17]([NH2:20])([CH3:19])[CH3:18].[BH4-].[Na+].C([O-])(O)=O.[Na+]>CO>[CH:17]([NH:20][CH2:1][CH:3]1[CH2:7][O:6][C:5]([CH3:9])([CH3:8])[N:4]1[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])([CH3:19])[CH3:18] | 2 |
[CH3:1][N:2]1[C:6]([C:7]([OH:9])=O)=[CH:5][CH:4]=[N:3]1.[Cl:10][C:11]1[CH:12]=[C:13]2[C:21](=[CH:22][CH:23]=1)[NH:20][C:19]1[CH:18]([NH2:24])[CH2:17][CH2:16][CH2:15][C:14]2=1>>[Cl:10][C:11]1[CH:12]=[C:13]2[C:21](=[CH:22][CH:23]=1)[NH:20][C:19]1[CH:18]([NH:24][C:7]([C:6]3[N:2]([CH3:1])[N:3]=[CH:4][CH:5]=3)=[O:9])[CH2:17][CH2:16][CH2:15][C:14]2=1 | 1 |
COC=1C=C(N)C=CC1C1=CN=CO1.BrC(C(=O)O)CC(C)C>>BrC(C(=O)NC1=CC(=C(C=C1)C1=CN=CO1)OC)CC(C)C | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9][C:10]([CH3:16])([CH3:15])[CH2:11][C:12](O)=[O:13])=[CH:5][CH:4]=1.C(Cl)(=O)C([Cl:20])=O>C1C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9][C:10]([CH3:16])([CH3:15])[CH2:11][C:12]([Cl:20])=[O:13])=[CH:5][CH:4]=1 | 1 |
[CH3:1][N:2]1[CH:7]2[CH2:8][CH2:9][CH:3]1[C:4]([NH2:16])([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[CH2:5][CH2:6]2.C(N(CC)C(C)C)(C)C.[CH3:26][O:27][C:28]1[CH:36]=[C:35]([C:37]([F:40])([F:39])[F:38])[CH:34]=[C:33]([S:41][CH3:42])[C:29]=1[C:30](Cl)=[O:31]>ClCCl>[CH3:26][O:27][C:28]1[CH:36]=[C:35]([C:37]([F:38])([F:39])[F:40])[CH:34]=[C:33]([S:41][CH3:42])[C:29]=1[C:30]([NH:16][C:4]1([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:5][CH2:6][CH:7]2[N:2]([CH3:1])[CH:3]1[CH2:9][CH2:8]2)=[O:31] | 1 |
Br[C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([Br:9])=[CH:4][N:3]=1.[CH:10]1[C:18]2[C:17]3[CH:19]=[CH:20][CH:21]=[CH:22][C:16]=3[O:15][C:14]=2[C:13](B(O)O)=[CH:12][CH:11]=1.C([O-])([O-])=O.[K+].[K+].C(COC)OC>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>[Br:9][C:5]1[C:6]([CH3:8])=[CH:7][C:2]([C:22]2[C:16]3[O:15][C:14]4[CH:13]=[CH:12][CH:11]=[CH:10][C:18]=4[C:17]=3[CH:19]=[CH:20][CH:21]=2)=[N:3][CH:4]=1 | 1 |
NC1=NC(=CC=C1)C.BrCC(C(=O)OCC)=O>>C(C)OC(=O)C=1N=C2N(C(=CC=C2)C)C1 | 5 |
C(N(CC)CC)C.[C:8](=[S:10])=S.[CH3:11][C:12]1[CH:28]=[CH:27][C:15]([O:16][C:17]2[S:18][C:19]3[CH:25]=[C:24]([NH2:26])[CH:23]=[CH:22][C:20]=3[N:21]=2)=[CH:14][CH:13]=1.P(Cl)(Cl)(Cl)=O>C(OCC)C>[CH3:11][C:12]1[CH:28]=[CH:27][C:15]([O:16][C:17]2[S:18][C:19]3[CH:25]=[C:24]([N:26]=[C:8]=[S:10])[CH:23]=[CH:22][C:20]=3[N:21]=2)=[CH:14][CH:13]=1 | 1 |
[S:1]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][C@@H:22]([C:24]([OH:26])=[O:25])[NH2:23])([C:4]1[C:16]2[CH:15]=[CH:14][CH:13]=[C:9]([N:10]([CH3:12])[CH3:11])[C:8]=2[CH:7]=[CH:6][CH:5]=1)(=[O:3])=[O:2].C(N1[CH2:34][CH2:33][O:32]CC1)C.C[O:36][CH:37](OC)[C:38]1[CH:43]=C[C:41](C(O)=O)=[CH:40][CH:39]=1.S(N[C@H](C(O)=O)CCCCN)(C1C2C=CC=C(N(C)C)C=2C=CC=1)(=O)=O>CN(C)C=O.C(O)(=O)C>[S:1]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][C@@H:22]([C:24]([OH:26])=[O:25])[NH:23][C:33](=[O:32])[C:34]1[CH:41]=[CH:40][CH:39]=[C:38]([CH:37]=[O:36])[CH:43]=1)([C:4]1[C:16]2[CH:15]=[CH:14][CH:13]=[C:9]([N:10]([CH3:12])[CH3:11])[C:8]=2[CH:7]=[CH:6][CH:5]=1)(=[O:2])=[O:3] | 1 |
[CH3:1][C:2]1[O:3][C:4]([CH:7]=[CH:8][N+:9]([O-])=O)=[CH:5][CH:6]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>>[CH3:1][C:2]1[O:3][C:4]([CH2:7][CH2:8][NH2:9])=[CH:5][CH:6]=1 | 1 |
C(C)N=C=O.NC=1SC=C(C1C(=O)OCC)C>C1CCCO1.CCN(CC)CC>C(C)OC(=O)C1=C(SC=C1C)NC(=O)NCC | 3 |
Cl[C:2]([C@:4]12[CH2:39][CH2:38][C@@H:37]([C:40]([CH2:42][O:43][CH2:44][CH2:45][N:46]3[CH2:51][CH2:50][O:49][CH2:48][CH2:47]3)=[CH2:41])[C@@H:5]1[C@@H:6]1[C@@:19]([CH3:22])([CH2:20][CH2:21]2)[C@@:18]2([CH3:23])[C@@H:9]([C@:10]3([CH3:36])[C@@H:15]([CH2:16][CH2:17]2)[C:14]([CH3:25])([CH3:24])[C:13]([C:26]2[CH:35]=[CH:34][C:29]([C:30]([O:32][CH3:33])=[O:31])=[CH:28][CH:27]=2)=[CH:12][CH2:11]3)[CH2:8][CH2:7]1)=[O:3].C(OC(=O)CCNC([C@]12CC[C@@H](C(COCCN3CCOCC3)=C)[C@@H]1[C@@H]1[C@@](C)(CC2)[C@@]2(C)[C@@H]([C@]3(C)[C@@H](CC2)C(C)(C)C(C2C=CC(C(OC)=O)=CC=2)=CC3)CC1)=O)C.[NH2:110][CH2:111][CH2:112][CH2:113][N:114]1[CH2:118][CH2:117][CH2:116][C:115]1=[O:119].C(N(C(C)C)CC)(C)C>ClCCCl>[CH3:22][C@:19]12[C@@:18]3([CH3:23])[C@@H:9]([C@:10]4([CH3:36])[C@@H:15]([CH2:16][CH2:17]3)[C:14]([CH3:25])([CH3:24])[C:13]([C:26]3[CH:27]=[CH:28][C:29]([C:30]([O:32][CH3:33])=[O:31])=[CH:34][CH:35]=3)=[CH:12][CH2:11]4)[CH2:8][CH2:7][C@@H:6]1[C@H:5]1[C@H:37]([C:40]([CH2:42][O:43][CH2:44][CH2:45][N:46]3[CH2:47][CH2:48][O:49][CH2:50][CH2:51]3)=[CH2:41])[CH2:38][CH2:39][C@:4]1([C:2](=[O:3])[NH:110][CH2:111][CH2:112][CH2:113][N:114]1[CH2:118][CH2:117][CH2:116][C:115]1=[O:119])[CH2:21][CH2:20]2 | 2 |
[NH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]1[CH2:7][OH:8].N1C=CN=C1.[C:14]([Si:18]([CH3:21])([CH3:20])Cl)([CH3:17])([CH3:16])[CH3:15]>CN(C=O)C>[Si:18]([O:8][CH2:7][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][NH:1]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([CH3:21])[CH3:20] | 1 |
O.O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C>CO[H]>O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)C.O([C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)C | 3 |
Br[C:2]1[CH:3]=[C:4]([S:8]([NH:11][C:12]2[CH:21]=[CH:20][C:15]([C:16]([O:18][CH3:19])=[O:17])=[C:14]([OH:22])[CH:13]=2)(=[O:10])=[O:9])[S:5][C:6]=1[Cl:7].[CH3:23][S:24]([NH:27][C:28]1[CH:33]=[CH:32][C:31](B2OC(C)(C)C(C)(C)O2)=[CH:30][CH:29]=1)(=[O:26])=[O:25]>>[Cl:7][C:6]1[S:5][C:4]([S:8]([NH:11][C:12]2[CH:21]=[CH:20][C:15]([C:16]([O:18][CH3:19])=[O:17])=[C:14]([OH:22])[CH:13]=2)(=[O:10])=[O:9])=[CH:3][C:2]=1[C:31]1[CH:30]=[CH:29][C:28]([NH:27][S:24]([CH3:23])(=[O:25])=[O:26])=[CH:33][CH:32]=1 | 2 |
[C:1]([O:5][C:6]([N:8]1[C@H:13]([C:14]([OH:16])=O)[CH2:12][C@H:11]2[C@@H:9]1[CH2:10]2)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:17][C:18]1[CH:19]=[CH:20][C:21]([N:26]2[CH:30]=[N:29][N:28]=[N:27]2)=[C:22]([CH:25]=1)[CH2:23][NH2:24].C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl>C(Cl)Cl>[C:1]([O:5][C:6]([N:8]1[C@H:13]([C:14](=[O:16])[NH:24][CH2:23][C:22]2[CH:25]=[C:18]([Cl:17])[CH:19]=[CH:20][C:21]=2[N:26]2[CH:30]=[N:29][N:28]=[N:27]2)[CH2:12][C@H:11]2[C@@H:9]1[CH2:10]2)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 2 |
C1(CCCCC1)C(C=1OC2=C(C1C)C=C(C=C2)OCC2=CC(=NC=C2)F)NC2=CC=C(C=C2)C(=O)NCCC(=O)OCC>>C1(CCCCC1)C(C=1OC2=C(C1C)C=C(C=C2)OCC2=CC(=NC=C2)F)NC2=CC=C(C=C2)C(=O)NCCC(=O)O | 5 |
C1=CC=C(C=2C3=CC=CC=C3NC12)OCC(CNCCOC1=C(C=CC=C1)OC)O>O.C(C)(=O)OCC>COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O.O.OP(=O)(O)O.OP(=O)(O)O | 3 |
C(#N)C1=CC(=NN1C)C(=O)OC.C(N)(=O)C1=CC(=NN1C)C(=O)OC>C1(=CC=CC=C1)C.C[Al](C)C>C(#N)C1=CC(=NN1C)C(=O)NC=1C=C2C(=NNC2=CC1)C1=COC=C1 | 3 |
[N+:1]([C:4]1[CH:27]=[CH:26][C:25]([N:28]2[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]2)=[CH:24][C:5]=1[C:6]([NH:8][C:9]1[NH:10][N:11]=[C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F:22])[F:21])[CH:15]=2)[N:13]=1)=[O:7])([O-])=O>CO.[Pd]>[NH2:1][C:4]1[CH:27]=[CH:26][C:25]([N:28]2[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]2)=[CH:24][C:5]=1[C:6]([NH:8][C:9]1[NH:10][N:11]=[C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F:21])[F:22])[CH:15]=2)[N:13]=1)=[O:7] | 1 |
[CH3:1][C:2]([CH3:9])([CH2:5][CH2:6][CH:7]=[CH2:8])[CH2:3][OH:4].Cl[C:11](Cl)([O:13]C(=O)OC(Cl)(Cl)Cl)Cl.CCN(C(C)C)C(C)C.[OH-].[Na+].[NH2:33][C@H:34]([C:39]([OH:41])=[O:40])[C:35]([CH3:38])([CH3:37])[CH3:36]>O1CCOCC1>[CH3:1][C:2]([CH3:9])([CH2:5][CH2:6][CH:7]=[CH2:8])[CH2:3][O:4][C:11]([NH:33][C@H:34]([C:39]([OH:41])=[O:40])[C:35]([CH3:38])([CH3:37])[CH3:36])=[O:13] | 1 |
[CH3:1][N:2]1[CH:7]=[C:6](B2OC(C)(C)C(C)(C)O2)[CH:5]=[C:4]([NH:17][C:18]2[CH:31]=[C:21]3[CH2:22][N:23]([CH2:26][C:27]([F:30])([F:29])[F:28])[CH2:24][CH2:25][N:20]3[N:19]=2)[C:3]1=[O:32].[C:33]([C:37]1[CH:38]=[C:39]2[C:44](=[C:45]([F:47])[CH:46]=1)[C:43](=[O:48])[N:42]([C:49]1[N:56]=[CH:55][CH:54]=[C:53](Cl)[C:50]=1[CH:51]=[O:52])[N:41]=[CH:40]2)([CH3:36])([CH3:35])[CH3:34].[O-]P([O-])([O-])=O.[K+].[K+].[K+].C([O-])(=O)C.[Na+]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(#N)C.O>[C:33]([C:37]1[CH:38]=[C:39]2[C:44](=[C:45]([F:47])[CH:46]=1)[C:43](=[O:48])[N:42]([C:49]1[N:56]=[CH:55][CH:54]=[C:53]([C:6]3[CH:5]=[C:4]([NH:17][C:18]4[CH:31]=[C:21]5[CH2:22][N:23]([CH2:26][C:27]([F:29])([F:28])[F:30])[CH2:24][CH2:25][N:20]5[N:19]=4)[C:3](=[O:32])[N:2]([CH3:1])[CH:7]=3)[C:50]=1[CH:51]=[O:52])[N:41]=[CH:40]2)([CH3:36])([CH3:34])[CH3:35] | 1 |
[Cl:1][C:2]1[N:7]=[C:6]([Cl:8])[C:5]([N+:9]([O-:11])=[O:10])=[C:4](Cl)[N:3]=1.CC[N:15]([CH2:18][CH3:19])[CH2:16][CH3:17].C[CH2:21][O:22]C(C)=O>C(Cl)(Cl)Cl>[Cl:1][C:2]1[N:3]=[C:4]([N:15]2[CH2:16][CH2:17][O:22][CH2:21][C@@H:18]2[CH3:19])[C:5]([N+:9]([O-:11])=[O:10])=[C:6]([Cl:8])[N:7]=1 | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=3[C:10](=[O:17])O2)=[CH:4][C:3]=1[N+:18]([O-])=O.Cl.[C:22]([C:24]1[C:25]([F:31])=[C:26]([CH:28]=[CH:29][CH:30]=1)[NH2:27])#[CH:23].O.O.[Sn](Cl)[Cl:35].S([O-])([O-])(=O)=O.[Na+].[Na+].[CH3:44][O:45][C:46]([NH:48][C:49](=NC(OC)=O)SC)=[O:47].Cl>CN1C(=O)CCC1.[Cl-].[Na+].O.O1CCOCC1.C(OCC)(=O)C.O>[ClH:35].[C:22]([C:24]1[C:25]([F:31])=[C:26]([N:27]2[C:10](=[O:17])[C:11]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[CH:8]2[C:5]2[CH:6]=[CH:7][C:2]3[NH:1][C:49]([NH:48][C:46](=[O:47])[O:45][CH3:44])=[N:18][C:3]=3[CH:4]=2)[CH:28]=[CH:29][CH:30]=1)#[CH:23] | 1 |
[C:1]([O:7][CH2:8][CH3:9])(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4].[H-].[Na+].[Li]CCCC.[F:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]([C:39]2[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=2)=[C:25]([C:30]2[N:31]=[N:32][N:33]([C:35]([CH3:38])([CH3:37])[CH3:36])[N:34]=2)[CH:26]=[CH:27][CH:28]=[O:29])=[CH:20][CH:19]=1>O1CCCC1>[F:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]([C:39]2[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=2)=[C:25]([C:30]2[N:31]=[N:32][N:33]([C:35]([CH3:38])([CH3:36])[CH3:37])[N:34]=2)[CH:26]=[CH:27][CH:28]([OH:29])[CH2:5][C:3](=[O:4])[CH2:2][C:1]([O:7][CH2:8][CH3:9])=[O:6])=[CH:20][CH:19]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OC1CN2C3=C(C(=C2CC1)C=1C=NC2=CC=CC=C2C1)C(=NC=N3)N>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>NC1=NC=NC2=C1C(=C1CCC(CN21)O)C=2C=NC1=CC=CC=C1C2 | 3 |
FC(C(=O)O)(F)F.ClCCCC(C(=O)O)=CC1=CC(=C(C=C1)N1C=NC(=C1)C)OC.C1(=C(C=CC=C1)C(C)N)C>>C1(=C(C=CC=C1)C(C)NC(C(CCCCl)=CC1=CC(=C(C=C1)N1C=NC(=C1)C)OC)=O)C | 5 |
C(C)OC(CCC1=CC=CC=2COB(C21)O)=O>>C(=O)(O)CCC1=CC=CC=2COB(C21)O | 5 |
C([O:3][C:4]([C:6]1([S:23]([C:26]2[CH:31]=[CH:30][C:29]([O:32][CH3:33])=[CH:28][CH:27]=2)(=[O:25])=[O:24])[CH2:11][CH2:10][N:9]([CH2:12][C:13]2[C:22]3[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=3)[CH:16]=[CH:15][CH:14]=2)[CH2:8][CH2:7]1)=[O:5])C.[OH-].[Na+]>CO>[CH3:33][O:32][C:29]1[CH:28]=[CH:27][C:26]([S:23]([C:6]2([C:4]([OH:5])=[O:3])[CH2:7][CH2:8][N:9]([CH2:12][C:13]3[C:22]4[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=4)[CH:16]=[CH:15][CH:14]=3)[CH2:10][CH2:11]2)(=[O:25])=[O:24])=[CH:31][CH:30]=1 | 1 |
C(CCCCCCC\C=C/CCCCCCCC)O>CC#N.[Cu]Br.CC(C)(C)N1N(C1=O)C(C)(C)C>C(CCCCCCC\C=C/CCCCCCCC)=O | 3 |
[C:1](Cl)(=[O:6])[C:2](C)(C)[CH3:3].C(N([CH2:13][CH3:14])CC)C.Cl.[CH3:16][O:17][C:18](=[O:28])[C@H:19]([CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[NH2:20].[O:29]1CC[CH2:31][CH2:30]1>>[CH3:16][O:17][C:18](=[O:28])[C@@H:19]([NH:20][C:30]([C@@H:31]1[C@@H:1]([CH2:2][CH2:3][CH2:13][CH3:14])[O:6]1)=[O:29])[CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
C(C1=CC=CC=C1)OC1CC(C1)C(C(=O)O)(C)C>CO[H].[HH].[Pd]C>OC1CC(C1)C(C(=O)O)(C)C | 3 |
NC1=NC=CC=C1.BrC1=NC=C(C=C1)C>>CC=1C=CC(=NC1)NC1=NC=CC=C1 | 5 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:16][OH:17])[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=1.Cl[C:19]1[CH:20]=[C:21]2[N:28]([CH3:29])[C@@H:27]([CH3:30])[CH2:26][N:22]2[C:23](=[O:25])[N:24]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=1)[CH2:16][O:17][C:19]1[CH:20]=[C:21]2[N:28]([CH3:29])[C@@H:27]([CH3:30])[CH2:26][N:22]2[C:23](=[O:25])[N:24]=1 | 1 |
CS(=O)(=O)Cl.Cl.NCCCN1C(N(C=2N=C(N(C2C1=O)CC1=CC=C(C=C1)Cl)OC1=CC(=CC=C1)OC(F)(F)F)C)=O>>ClC1=CC=C(CN2C(=NC=3N(C(N(C(C23)=O)CCCNS(=O)(=O)C)=O)C)OC2=CC(=CC=C2)OC(F)(F)F)C=C1 | 5 |
C(CCC)=O.C1(=CCCCCCC1)C1=C(C=CC=C1)N1CCNCC1>>C(CCC)N1CCN(CC1)C1=C(C=CC=C1)C1=CCCCCCC1 | 5 |
CN1C=C(C2=CC=CC=C12)C=1OC(=CN1)C=1C=C2C=CC(=CC2=CC1)O>>CN1C=C(C2=CC=CC=C12)C=1OC(=CN1)C=1C=C2C=CC(=CC2=CC1)OCC(=O)OC | 5 |
COC(C(=O)N(C1=C(C=CC=C1)[N+](=O)[O-])C1CC1)=O>CO[H].[HH].[Pd]>C1(CC1)N1C(C(N(C2=CC=CC=C12)O)=O)=O | 3 |
C(OC(=O)[CH:7]([C:19]#[N:20])[C:8]1[CH:13]=[CH:12][C:11]([N+:14]([O-:16])=[O:15])=[C:10]([O:17][CH3:18])[CH:9]=1)(C)(C)C.C(Cl)Cl.FC(F)(F)C(O)=O>>[CH3:18][O:17][C:10]1[CH:9]=[C:8]([CH2:7][C:19]#[N:20])[CH:13]=[CH:12][C:11]=1[N+:14]([O-:16])=[O:15] | 1 |
[NH2:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([CH3:11])[C:3]=1[C:4]([OH:6])=O.O=S(Cl)Cl.[Cl:16][C:17]1[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=1[NH2:19].C(Cl)(Cl)Cl>C1C=CC=CC=1>[NH2:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([CH3:11])[C:3]=1[C:4]([NH:19][C:18]1[CH:20]=[CH:21][CH:22]=[CH:23][C:17]=1[Cl:16])=[O:6] | 1 |
[F:1][CH:2]([F:35])[O:3][C:4]1[N:9]=[C:8]([CH3:10])[C:7]([C:11]2[C:12]([CH3:33])=[C:13]([CH:30]=[CH:31][CH:32]=2)[CH2:14][NH:15][C:16]2[CH:29]=[CH:28][C:19]3[C@H:20]([CH2:23][C:24]([O:26]C)=[O:25])[CH2:21][O:22][C:18]=3[CH:17]=2)=[C:6]([CH3:34])[N:5]=1.[OH-].[Na+].Cl.[Cl-].[Ca+2:40].[Cl-]>CO.O1CCCC1.O>[F:35][CH:2]([F:1])[O:3][C:4]1[N:9]=[C:8]([CH3:10])[C:7]([C:11]2[C:12]([CH3:33])=[C:13]([CH:30]=[CH:31][CH:32]=2)[CH2:14][NH:15][C:16]2[CH:29]=[CH:28][C:19]3[C@H:20]([CH2:23][C:24]([O-:26])=[O:25])[CH2:21][O:22][C:18]=3[CH:17]=2)=[C:6]([CH3:34])[N:5]=1.[Ca+2:40].[F:35][CH:2]([F:1])[O:3][C:4]1[N:9]=[C:8]([CH3:10])[C:7]([C:11]2[C:12]([CH3:33])=[C:13]([CH:30]=[CH:31][CH:32]=2)[CH2:14][NH:15][C:16]2[CH:29]=[CH:28][C:19]3[C@H:20]([CH2:23][C:24]([O-:26])=[O:25])[CH2:21][O:22][C:18]=3[CH:17]=2)=[C:6]([CH3:34])[N:5]=1 | 2 |
COC1=C(C=CC=C1OCCOC)CC#N>>COC1=C(C=CC=C1OCCOC)C(C#N)C(C)=O | 5 |
C(=O)([O-])[O-].[K+].[K+].Br[CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10].[NH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[F:21][C:22]1[CH:30]=[CH:29][C:25]([C:26](Cl)=[O:27])=[CH:24][CH:23]=1.CN(C1C=CC=CN=1)C.Cl>C(Cl)(Cl)Cl.C(OCC)(=O)C.O.CN(C=O)C>[F:21][C:22]1[CH:30]=[CH:29][C:25]([C:26]([N:14]([CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10])[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[O:27])=[CH:24][CH:23]=1 | 1 |
C(C)(=O)N1CCNCC1.ClCC=1SC=CC1S(=O)(=O)N(C=1C=CC=C2C=C(NC12)C=1SC=CN1)C>>C(C)(=O)N1CCN(CC1)CC=1SC=CC1S(=O)(=O)N(C=1C=CC=C2C=C(NC12)C=1SC=CN1)C | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:8]([CH3:11])([CH3:10])[CH3:9])[CH:3]=1.Cl[S:13]([OH:16])(=[O:15])=[O:14].CO>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]([C:8]([CH3:11])([CH3:10])[CH3:9])[CH:5]=[CH:6][C:7]=1[S:13]([OH:16])(=[O:15])=[O:14] | 1 |
C(C)(C)(C)OC(N[C@@H](C)C(NC=1C=CC(=C2CCCNC12)F)=O)=O>>C(C)(C)(C)OC(N[C@@H](C)C1=NC=2C=CC(=C3CCCN1C23)F)=O | 5 |
[CH2:1]([N:8]1[CH:12]=[C:11]([CH2:13][CH2:14][CH2:15][CH:16]=[O:17])[C:10]([O:18][CH2:19][CH3:20])=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+].Cl>C(O)C>[CH2:1]([N:8]1[CH:12]=[C:11]([CH2:13][CH2:14][CH2:15][CH2:16][OH:17])[C:10]([O:18][CH2:19][CH3:20])=[N:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
FC(C=1C=C(C=CC1)NC(=O)N1CCC2=CC(=CC=C12)OC1=NC(=NC(=C1)Cl)N)(F)F>>FC(C=1C=C(C=CC1)NC(=O)N1CCC2=CC(=CC=C12)OC1=NC(=NC=C1)N)(F)F | 5 |
[N+:1]([C:4]1[CH:17]=[CH:16][C:15]([O:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[CH:14][C:5]=1[CH2:6][CH:7]([CH2:10][CH2:11][CH:12]=C)[C:8]#[N:9])([O-:3])=[O:2].I([O-])(=O)(=O)=[O:26].[Na+].ClCCl.[OH2:34]>C(#N)C.C(Cl)(Cl)(Cl)Cl.[Ru](Cl)(Cl)Cl>[C:8]([CH:7]([CH2:6][C:5]1[CH:14]=[C:15]([O:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:16]=[CH:17][C:4]=1[N+:1]([O-:3])=[O:2])[CH2:10][CH2:11][C:12]([OH:26])=[O:34])#[N:9] | 1 |
O=C1NC2(CC(C1C(=O)OC)=O)CCCCC2>CC#N>N1C(CC(CC12CCCCC2)=O)=O | 3 |
FC=1C=C(C(=O)OC)C=CC1CN(C(=O)N1CCS(CC1)(=O)=O)C=1C=CC=C2C=NN(C12)C>O.CCO[H].O.NN>FC1=C(CN(C(=O)N2CCS(CC2)(=O)=O)C=2C=CC=C3C=NN(C23)C)C=CC(=C1)C(=O)NN | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[S:7][CH2:8][C:9]1[N+:18]([O-:19])=[C:17]2[C:12]([CH:13]=[CH:14][CH:15]=[CH:16]2)=[N+:11]([O-:20])[C:10]=1[C:21]([O:23][CH3:24])=[O:22].[OH:25]S(O)(=O)=O.[O-][Mn](=O)(=O)=O.[K+].OO.[OH2:38]>CC(C)=O>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[S:7]([CH2:8][C:9]1[N+:18]([O-:19])=[C:17]2[C:12]([CH:13]=[CH:14][CH:15]=[CH:16]2)=[N+:11]([O-:20])[C:10]=1[C:21]([O:23][CH3:24])=[O:22])(=[O:25])=[O:38] | 1 |
C(O[C:4](=[O:21])[CH:5]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[CH2:6][NH:7][CH2:8][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])C.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].Cl.O>O1CCCC1>[CH2:13]([O:12][C:10]([CH:9]1[C:4](=[O:21])[CH:5]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH2:6][NH:7][CH2:8]1)=[O:11])[CH3:14] | 2 |
BrC=1C=C2C(=NC1)N(N=C2C2=CC=CC=C2)COCC[Si](C)(C)C>O(O[H])[H].[OH-].[Na+].O1CCOCC1.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+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C1(=CC=CC=C1)C1=NN(C2=NC=C(C=C21)O)COCC[Si](C)(C)C | 3 |
[CH3:1][C:2]1([N:13]([CH3:42])[C:14]2[C:15]([C:38]([F:41])([F:40])[F:39])=[CH:16][C:17]3[O:36][CH2:35][C:20]4=[N:21][N:22](COCC[Si](C)(C)C)[C:23](=[O:26])[CH:24]([CH3:25])[N:19]4[C:18]=3[CH:37]=2)[CH2:5][N:4](C(OC(C)(C)C)=O)[CH2:3]1.[C:43]([OH:49])([C:45]([F:48])([F:47])[F:46])=[O:44]>C(Cl)Cl>[F:46][C:45]([F:48])([F:47])[C:43]([OH:49])=[O:44].[CH3:25][C@@H:24]1[C:23](=[O:26])[NH:22][N:21]=[C:20]2[CH2:35][O:36][C:17]3[CH:16]=[C:15]([C:38]([F:40])([F:39])[F:41])[C:14]([N:13]([CH3:42])[C:2]4([CH3:1])[CH2:3][NH:4][CH2:5]4)=[CH:37][C:18]=3[N:19]12 | 1 |
C(CCCCC)N.FC1=C(OC=2N=CC(=NC2)C(=O)N)C=CC(=C1)C=O>CO[H].[Na+].[BH4-]>FC1=C(OC=2N=CC(=NC2)C(=O)N)C=CC(=C1)CNCCCCCC | 3 |
BrC1=CC=C(C=C1)C1=NC=CC2=C1C=C(N2)CO>N(C)(C)C=O.C1CCCO1.ClCCl.ClS(Cl)=O.C(O)([O-])=O.[Na+]>BrC1=CC=C(C=C1)C1=NC=CC2=C1C=C(N2)CCl | 3 |
C(C)(C)(C)OC(NC(C)C1=C(C(=C(C(=C1)Cl)C#N)Br)OCC)=O.CS(=O)(=O)C=1C=NC=C(C1)B1OC(C(O1)(C)C)(C)C>>ClC=1C(=C(C(=C(C1)C(C)NC(OC(C)(C)C)=O)OCC)C=1C=NC=C(C1)S(=O)(=O)C)C#N | 5 |
NC=1C=C(OC2=CC=C3C(=N2)SC(=N3)NC(=O)C3CC3)C=CC1.ClC1=C(C(=O)O)C=CC=C1C1CC1>c1ccncc1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C(=O)NC2=CC(=CC=C2)OC2=CC=C3C(=N2)SC(=N3)NC(=O)C3CC3)C=CC=C1C1(CC1)C#N | 3 |
[Br:1][C:2]1[C:10]([O:11][CH3:12])=[CH:9][C:5]([C:6]([OH:8])=O)=[C:4]([F:13])[CH:3]=1.CN(C=O)C.S(Cl)(Cl)=O.[F:23][C:24]([F:33])([F:32])[C:25]1[CH:30]=[CH:29][N:28]=[C:27]([NH2:31])[CH:26]=1>C(Cl)Cl.CN(C1C=CN=CC=1)C>[Br:1][C:2]1[C:10]([O:11][CH3:12])=[CH:9][C:5]([C:6]([NH:31][C:27]2[CH:26]=[C:25]([C:24]([F:32])([F:23])[F:33])[CH:30]=[CH:29][N:28]=2)=[O:8])=[C:4]([F:13])[CH:3]=1 | 2 |
ClC1=CC=C(S1)CC(=O)O.COC(C1=CC(=C(C=C1)NC(CC)CC)N)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC(C1=CC(=C(C=C1)NC(CC)CC)NC(CC=1SC(=CC1)Cl)=O)=O | 3 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH:10]([CH2:17][C:18]3[CH:22]=[C:21](O)[N:20]([CH2:24][C:25]([F:28])([F:27])[F:26])[N:19]=3)[CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:9][C:4]=2[O:3][CH2:2]1.COC1C=CC(P2(=S)SP(=S)(C3C=CC(OC)=CC=3)[S:38]2)=CC=1>C1C=CC=CC=1>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH:10]([CH2:17][C:18]3[CH:22]=[C:21]([SH:38])[N:20]([CH2:24][C:25]([F:28])([F:27])[F:26])[N:19]=3)[CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:9][C:4]=2[O:3][CH2:2]1 | 2 |
BrC1=CC=C(CO)C=C1.CC1=C(C(=CC=C1)C)B(O)O>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C=1(C(=CC=CC1)CO)C.O>CC1=C(C(=CC=C1)C)C1=CC=C(C=C1)CO | 3 |
CC=1NC2=C(N1)C=CC=C2.COC(C1=CC=C(C=C1)F)=O>>CC1=NC2=C(N1C1=CC=C(C(=O)OC)C=C1)C=CC=C2 | 5 |
ClC1=C(C=CC=C1)N=C=O.NC1=CC=C(C=C1)C1=C(C=CC=C1)C(CC(C(=O)OC)CCC)=O>ClCCl>ClC1=C(C=CC=C1)NC(=O)NC1=CC=C(C=C1)C1=CC=C(C=C1)C(CC(C(=O)O)CCC)=O | 3 |
[C-]#N.[Zn+2].[C-]#N.C(C)OC(CCC(=O)C1=NC(=CC(=C1O)Br)C1=C(C(=CC=C1)C(F)(F)F)Cl)=O>[Zn].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([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2].[Cl-].C[Al+]C>C(C)OC(CCC(=O)C1=NC(=CC(=C1O)C#N)C1=C(C(=CC=C1)C(F)(F)F)Cl)=O | 3 |
CC1(OB(OC1(C)C)C=1C=C(CN(CCN(C(OC(C)(C)C)=O)C)C(=O)OC(C)(C)C)C=CC1)C.BrC1=CC2=C(NC(=N2)C2=C(C=CC=C2)OC)C(=C1)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>COC1=C(C=CC=C1)C1=NC2=C(N1)C(=CC(=C2)C=2C=C(CN(C(OC(C)(C)C)=O)CCNCC(=O)OC(C)(C)C)C=CC2)C | 3 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:20])[C:7]=1[S:8][C:9]1[S:13][C:12]([C:14](Cl)=[O:15])=[CH:11][C:10]=1[N+:17]([O-:19])=[O:18].[O:21]1[CH2:26][CH2:25][N:24]([C:27]2[CH:33]=[CH:32][C:30]([NH2:31])=[CH:29][CH:28]=2)[CH2:23][CH2:22]1>>[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:20])[C:7]=1[S:8][C:9]1[S:13][C:12]([C:14]([NH:31][C:30]2[CH:29]=[CH:28][C:27]([N:24]3[CH2:25][CH2:26][O:21][CH2:22][CH2:23]3)=[CH:33][CH:32]=2)=[O:15])=[CH:11][C:10]=1[N+:17]([O-:19])=[O:18] | 1 |
COC=1C=C(CN2C=C(C(C(=C2)C2=CC(=C(C=C2)OCCOC)OC)=O)C#N)C=CC1OC>>ClC1=C(C=NC=C1C#N)C1=CC(=C(C=C1)OCCOC)OC | 5 |
N1CCC(CC1)N1C(NC2=C1C=CC=C2)=O.ClC(CC(C(=O)C1=CC=CC=C1)O)F>C1(=CC=CC=C1)C.[I-].[K+].C(O)([O-])=O.[Na+]>O=C1NC2=C(N1C1CCN(CC1)C(CC(C(=O)C1=CC=CC=C1)O)F)C=CC=C2 | 3 |
N1C(=NC2=C1C=CC=C2)[C@@H](CC2=CC=C(C=C2)Cl)N>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC1=CC=C(C[C@H]2NC(N3C2=NC2=C3C=CC=C2)=O)C=C1 | 3 |
C(C=C)N1C(=CC(=C1)C(C(F)(F)F)(O)C=1C=C2C=NN(C2=CC1)C1=CC=C(C=C1)F)C(=O)O>>CN(C(=O)C=1N(C=C(C1)C(C(F)(F)F)(O)C=1C=C2C=NN(C2=CC1)C1=CC=C(C=C1)F)CC=C)C | 5 |
[CH:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[OH:11][N:12]1C(=O)C2=CC=CC=C2C1=O.[N+]([O-])=[O:24].[N]=O>C(O)(=O)C.C(#N)C1C=CC=CC=1>[N+:12]([C:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2)([O-:11])=[O:24].[C:1]12([OH:11])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2 | 1 |
[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:40]=[CH:39][C:16]([CH2:17][N:18]([C:26]3[CH:27]=[CH:28][C:29]4[C:34](=[O:35])[O:33]C(C)(C)[O:31][C:30]=4[CH:38]=3)[C:19](=[O:25])[CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4]>C1COCC1>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]#[C:12][C:13]2[CH:40]=[CH:39][C:16]([CH2:17][N:18]([C:19](=[O:25])[CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[C:26]3[CH:27]=[CH:28][C:29]([C:34]([OH:35])=[O:33])=[C:30]([OH:31])[CH:38]=3)=[CH:15][CH:14]=2)=[CH:9][CH:10]=1)[CH2:2][CH2:3][CH3:4] | 1 |
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