smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C(C)C)N1C2=NC(=NC(=C2N=C1N1CCNCC1)N1CCOCC1)C=1C=NC(=NC1)N>>C(C)(=O)N1CCN(CC1)C=1N(C2=NC(=NC(=C2N1)N1CCOCC1)C=1C=NC(=NC1)N)CC(C)C | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13]([O:17][CH3:18])=[CH:14][CH:15]=3)[CH:10]=[C:9]2[CH3:19])=[CH:4][CH:3]=1.I[C:21]1C=C[C:24]([N:27]2[C:35]3[C:30](=CC(OC)=CC=3)[CH:29]=[C:28]2C)=[CH:23][CH:22]=1.COC1C=C2C(=CC=1)NC(C)=C2.BrC1C=CC(I)=CC=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].CNCCNC>C1(C)C=CC=CC=1.[Cu]I>[CH3:18][O:17][C:13]1[CH:12]=[C:11]2[C:16](=[CH:15][CH:14]=1)[N:8]([C:5]1[CH:6]=[CH:7][C:2]([C:21]#[C:22][CH2:23][CH2:24][N:27]3[CH2:35][CH2:30][CH2:29][CH2:28]3)=[CH:3][CH:4]=1)[C:9]([CH3:19])=[CH:10]2 | 1 |
[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20][NH:21][CH:22]4[CH2:27][CH2:26][N:25](C(OC(C)(C)C)=O)[CH2:24][CH2:23]4)=[CH:16][CH:15]=3)=[CH:11][CH:12]=2)[C@H:7]([NH:35][C:36]([O:38][CH:39]([CH3:41])[CH3:40])=[O:37])[CH2:6][C@@H:5]1[CH3:42])(=[O:3])[CH3:2].[ClH:43]>CO>[ClH:43].[ClH:43].[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:15]=[CH:16][C:17]([CH2:20][NH:21][CH:22]4[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]4)=[CH:18][CH:19]=3)=[CH:11][CH:12]=2)[C@H:7]([NH:35][C:36](=[O:37])[O:38][CH:39]([CH3:40])[CH3:41])[CH2:6][C@@H:5]1[CH3:42])(=[O:3])[CH3:2] | 2 |
FC(C(=O)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F.ClC(C)F>BrBr.C([O-])([O-])=O.[K+].[K+].[F-].[K+].COCCOCCOCCOC>BrCC(OC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)Cl | 3 |
[CH:1]1[CH:2]=[CH:3][N:4]2[CH2:10][C:9]3[CH:11]=[CH:12][CH:13]=[CH:14][C:8]=3[NH:7][CH2:6][C:5]=12.C(N(C(C)C)CC)(C)C.[CH3:24][N:25]1[CH:29]=[C:28]([C:30]2[N:35]=[CH:34][C:33]([C:36](Cl)=[O:37])=[CH:32][CH:31]=2)[CH:27]=[N:26]1>ClCCl>[CH3:24][N:25]1[CH:29]=[C:28]([C:30]2[N:35]=[CH:34][C:33]([C:36]([N:7]3[C:8]4[CH:14]=[CH:13][CH:12]=[CH:11][C:9]=4[CH2:10][N:4]4[CH:3]=[CH:2][CH:1]=[C:5]4[CH2:6]3)=[O:37])=[CH:32][CH:31]=2)[CH:27]=[N:26]1 | 1 |
C(#N)C1=C(C=CC=C1)C1=CC=C(C=C1)CC=1C(N(C=2N(C1CCC)N=CC2)[C@@H]2CC[C@H](CC2)OCC(=O)N(C)OC)=O>>OC(CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CC2)C(C)C | 5 |
BrCCC.OC1=C2C=CN=CC2=CC=C1>N(C)(C)C=O.[H-].[Na+]>C(CC)OC1=C2C=CN=CC2=CC=C1 | 3 |
[CH3:1][N:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][C:5](=[O:12])[N:4]([C:13]2[CH:14]=[CH:15][C:16]3[S:20][N:19]=[C:18]([C:21](=O)[C:22](OC)=[O:23])[C:17]=3[CH:27]=2)[C:3]1=[O:28].Cl.[CH2:30]([NH:32][C:33]([NH2:35])=[NH:34])[CH3:31].[C:36](=O)(O)[O-:37].[Na+].CO>O>[CH3:36][O:37][C:21]1([C:18]2[C:17]3[CH:27]=[C:13]([N:4]4[C:5](=[O:12])[CH:6]=[C:7]([C:8]([F:10])([F:11])[F:9])[N:2]([CH3:1])[C:3]4=[O:28])[CH:14]=[CH:15][C:16]=3[S:20][N:19]=2)[C:22](=[O:23])[NH:35][C:33](=[N:32][CH2:30][CH3:31])[NH:34]1 | 1 |
C(CCC)OC(=O)N1[C@@H](C[C@H](C1)SCC1=CC=C(C=C1)OC)CCCN1C=CC=C1>C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>C(CCC)OC(=O)N1[C@H](C[C@H](C1)S)CCCN1C=CC=C1 | 3 |
Cl[C:2]1[N:10]=[C:9](Cl)[CH:8]=[CH:7][C:3]=1[C:4]([NH2:6])=[O:5].[O:12]([C:19]1[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(O[C:31]([NH:33][C:34]1[CH:39]=[CH:38][C:37](B(O)O)=[CH:36][CH:35]=1)=[O:32])(C)(C)C.[C:43](Cl)(=O)[CH:44]=C>>[C:31]([NH:33][C:34]1[CH:35]=[CH:36][C:37]([C:9]2[CH:8]=[CH:7][C:3]([C:4]([NH2:6])=[O:5])=[C:2]([O:25][C:22]3[CH:21]=[CH:20][C:19]([O:12][C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=4)=[CH:24][CH:23]=3)[N:10]=2)=[CH:38][CH:39]=1)(=[O:32])[CH:43]=[CH2:44] | 2 |
C1(=CC=CC=C1)CCCNC1=C(C(=O)OCC)C=CC=N1>O.C1CCCO1.[OH-].[Li+]>C1(=CC=CC=C1)CCCNC1=C(C(=O)O)C=CC=N1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]([C@H:12]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[N:15]([C:22](=[O:30])[C:23]3[CH:28]=[CH:27][C:26]([OH:29])=[CH:25][CH:24]=3)[C@@H:14]([CH3:31])[CH2:13]2)[C:9](=[O:11])[CH3:10])=[CH:4][CH:3]=1.[H-].[Na+].Cl[CH2:35][CH2:36][CH2:37][S:38]([OH:41])(=[O:40])=[O:39]>CN(C=O)C>[C:9]([N:8]([C:5]1[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=1)[C@H:12]1[C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[N:15]([C:22]([C:23]2[CH:24]=[CH:25][C:26]([O:29][CH2:35][CH2:36][CH2:37][S:38]([OH:41])(=[O:40])=[O:39])=[CH:27][CH:28]=2)=[O:30])[C@@H:14]([CH3:31])[CH2:13]1)(=[O:11])[CH3:10] | 1 |
C(C)OC(CCCNC)OCC.ClC1=CC=C(C=C1)N(N)CCC1CCCC1>>ClC=1C=C2C(=CN(C2=CC1)CCC1CCCC1)CCNC | 5 |
C(C=C)O.C1(CC1)COC=1C=C(C(=O)O)C=CC1CNS(=O)(=O)C>CC#N.C(=O)(C=1NC=CN1)C=1NC=CN1>C1(CC1)COC=1C=C(C(=O)OCC=C)C=CC1CNS(=O)(=O)C | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC=1C=CC(=NC1)C1(CCN(CC1)C(=O)OC(C)(C)C)O>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C=1C=CC(=NC1)C1(CCN(CC1)C(=O)OC(C)(C)C)O | 3 |
[O:1]([C:8]1[CH:13]=[CH:12][C:11]([NH:14][C:15]2[N:20]=[CH:19][N:18]=[C:17]([NH:21][C:22]3[CH:23]=[C:24]([CH:28]=[CH:29][CH:30]=3)[C:25](O)=[O:26])[CH:16]=2)=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:31][NH:32][O:33][CH3:34].Cl.CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:34][O:33][N:32]([CH3:31])[C:25](=[O:26])[C:24]1[CH:28]=[CH:29][CH:30]=[C:22]([NH:21][C:17]2[CH:16]=[C:15]([NH:14][C:11]3[CH:12]=[CH:13][C:8]([O:1][C:2]4[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=4)=[CH:9][CH:10]=3)[N:20]=[CH:19][N:18]=2)[CH:23]=1 | 1 |
COC1=CC(=CC=2N1N=CN2)OC2=C(C=C(C=C2)NC(C)=O)C>CO[H].Cl>COC1=CC(=CC=2N1N=CN2)OC2=C(C=C(N)C=C2)C | 3 |
C(C)(=O)O[C@@H]1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5([C@@H]([C@H]4CC[C@@H]3[C@]2(CC1)C)[C@@H](CC5)C(=C)C)C(=O)N5C(CCC5)C=5NC(=CN5)C5=CC=C(C=C5)Cl)C)C)(C)C>>ClC1=CC=C(C=C1)C1=CN=C(N1)C1N(CCC1)C(=O)[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)O)C)[C@@H](CC2)C(=C)C | 5 |
ClC1=C(C(=C(C=C1OC)OC)Cl)C1=CC2=C(N=C(N=C2)NC)N(C1=O)CCCN1CCN(CC1)C(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.ClC1=C(C(=C(C=C1OC)OC)Cl)C1=CC2=C(N=C(N=C2)NC)N(C1=O)CCCN1CCNCC1 | 3 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([N:11]2[CH2:16][CH2:15][N:14]([C:17]3[C:18]([C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)=[N:19][C:20]4[C:25]([N:26]=3)=[CH:24][C:23]([C:27]([O:29]C)=[O:28])=[CH:22][CH:21]=4)[CH2:13][CH2:12]2)[N:2]=1.[OH-].[Na+].Cl>CO.O>[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([N:11]2[CH2:16][CH2:15][N:14]([C:17]3[C:18]([C:31]4[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=4)=[N:19][C:20]4[C:25]([N:26]=3)=[CH:24][C:23]([C:27]([OH:29])=[O:28])=[CH:22][CH:21]=4)[CH2:13][CH2:12]2)[N:2]=1 | 1 |
FC1=CC=C(C=C1)N1N=CC=2NCCCC21.CC1=CC(=NN1C(C(=O)O)CC)C(F)(F)F>>FC1=CC=C(C=C1)N1N=CC=2N(CCCC21)C(C(CC)N2N=C(C=C2C)C(F)(F)F)=O | 5 |
ClCCC(=O)Cl.Cl.NC=1C=C(C(=NC1)C)NC(=O)C=1C=NN2C1SC(=C2)Br>ClCCl.CCN(CC)CC>C(C=C)(=O)NC=1C=C(C(=NC1)C)NC(=O)C=1C=NN2C1SC(=C2)Br | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[C:15]([O:23]C)[CH:16]=[C:17]([N+:20]([O-:22])=[O:21])[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:25]#[N:26])[CH:5]=[CH:6][C:7]=1[F:8].Cl.N1C=CC=CC=1>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[C:15]([OH:23])[CH:16]=[C:17]([N+:20]([O-:22])=[O:21])[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:25]#[N:26])[CH:5]=[CH:6][C:7]=1[F:8] | 2 |
ClC1=NC(=NC=C1OC1=C(C=C(C=C1)F)F)S(=O)(=O)C.CN1C(C(=CC(=C1)B1OC(C(O1)(C)C)(C)C)C)=O>O.O1CCOCC1.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC1=C(OC=2C(=NC(=NC2)S(=O)(=O)C)C=2C=C(C(N(C2)C)=O)C)C=CC(=C1)F | 3 |
C(#N)C(=O)OCC.[N+](=O)([O-])C=1C=2CCCC2C=C2CCC(C12)=O>C1CCCO1.Cl.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>OC1=C(CC2=CC=3CCCC3C(=C12)[N+](=O)[O-])C(=O)OCC | 3 |
ClC=1N=CC2=C(N1)C=CN2COCC[Si](C)(C)C.C1(CC1)C1=NC=NC(=C1B(O)O)OCC>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].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]>C1(CC1)C1=NC=NC(=C1C=1N=CC2=C(N1)C=CN2COCC[Si](C)(C)C)OCC | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:19](=O)[C:20]([F:23])([F:22])[F:21])[C:9]([C:11]2[CH:16]=[CH:15][C:14]([S:17][CH3:18])=[CH:13][CH:12]=2)=O)=[CH:4][CH:3]=1.[NH2:25][NH2:26].O>C(O)(=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:11]3[CH:16]=[CH:15][C:14]([S:17][CH3:18])=[CH:13][CH:12]=3)=[N:25][NH:26][C:19]=2[C:20]([F:23])([F:22])[F:21])=[CH:4][CH:3]=1 | 1 |
B(F)(F)F.CCOCC.[OH:10][C:11]1[C:20]([O:21][CH3:22])=[C:19]2[C:14]([CH:15]=[C:16]([NH:24][C:25](=[O:34])[O:26][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:17](=[O:23])[O:18]2)=[CH:13][CH:12]=1.ClC(Cl)(Cl)C(=N)O[C@H:39]1[C@@H:44]2[O:45][C:46](=[O:48])[O:47][C@@H:43]2[C@@H:42]([O:49][CH3:50])[C:41]([CH3:52])([CH3:51])[O:40]1.C(N(CC)CC)C>C(Cl)Cl>[CH3:22][O:21][C:20]1[C:11]([O:10][C@H:39]2[C@@H:44]3[O:45][C:46](=[O:48])[O:47][C@@H:43]3[C@@H:42]([O:49][CH3:50])[C:41]([CH3:52])([CH3:51])[O:40]2)=[CH:12][CH:13]=[C:14]2[C:19]=1[O:18][C:17](=[O:23])[C:16]([NH:24][C:25](=[O:34])[O:26][CH2:27][C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1)=[CH:15]2 | 1 |
ClC1=CC(=C(C=C1)C1(OC2=C(O1)C=CC=C2C2CCN(CC2)CC2=NC=C(C(N)=NO)C=C2CCOC)C)F>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC1=CC(=C(C=C1)C1(OC2=C(O1)C=CC=C2C2CCN(CC2)CC2=C(C=C(C=N2)C2=NOC(N2)=O)CCOC)C)F | 3 |
ClC=1C(=CC=C2N=CC(=NC12)C=1C(=NN(C1)CC1CCNCC1)C)OC1=CC2=C(N=C(N2)C)C=C1>N(C)(C)C=O.C=O.C(=O)O>ClC=1C(=CC=C2N=CC(=NC12)C=1C(=NN(C1)CC1CCN(CC1)C)C)OC1=CC2=C(N=C(N2)C)C=C1 | 3 |
BrC1=C(C#N)C=CN=C1.[Br-].C1(CCC1)[Zn+]>>C1(CCC1)C1=C(C#N)C=CN=C1 | 5 |
Cl.[C:2]([C:5]1[CH:6]=[CH:7][C:8]([O:31][CH2:32][CH:33]2[CH2:35][CH2:34]2)=[C:9]([C:11]2[C:12]3[NH:19][C:18]([CH3:20])=[C:17]([C:21]([NH:23][C@H:24]4[CH2:29][CH2:28][C@H:27]([NH2:30])[CH2:26][CH2:25]4)=[O:22])[C:13]=3[N:14]=[CH:15][N:16]=2)[CH:10]=1)(=[O:4])[CH3:3].[C:36](Cl)(=[O:38])[CH3:37]>>[C:36]([NH:30][C@H:27]1[CH2:28][CH2:29][C@H:24]([NH:23][C:21]([C:17]2[C:13]3[N:14]=[CH:15][N:16]=[C:11]([C:9]4[CH:10]=[C:5]([C:2](=[O:4])[CH3:3])[CH:6]=[CH:7][C:8]=4[O:31][CH2:32][CH:33]4[CH2:34][CH2:35]4)[C:12]=3[NH:19][C:18]=2[CH3:20])=[O:22])[CH2:25][CH2:26]1)(=[O:38])[CH3:37] | 1 |
[N+](=O)([O-])C1=CC=C(CC2=CC=C(C(=O)O)C=C2)C=C1>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>ClC(=O)C1=CC=C(CC2=CC=C(C=C2)[N+](=O)[O-])C=C1 | 3 |
C(C(C)C)OC1=C(C=O)C=CC=C1>C1CCCO1.[H-].[Na+].C(C)OP(=O)(OCC)CC(=O)OCC>C(C(C)C)OC1=C(C=CC=C1)C=CC(=O)OCC | 3 |
C(C)OC1=C(C=C(/C(/N)=N/O)C=C1)OC>O.C(=O)(C=1NC=CN1)C=1NC=CN1.O1CCOCC1.C1CCC2=NCCCN2CC1>C(C)OC1=C(C=C(C=C1)C1=NOC(N1)=O)OC | 3 |
ClC=1N=NC=C(C1Cl)Cl.FC(C=1C(=NC=CC1)C1CCNCC1)(F)F>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.NN>ClC1=C(N=NC=C1N1CCC(CC1)C1=NC=CC=C1C(F)(F)F)NN | 3 |
ClCC(OCC)(OCC)OCC.NC1=C(C=CC(=C1)Cl)S>>ClC=1C=CC2=C(N=C(S2)CCl)C1 | 5 |
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:11]([C:16]([NH:18][C:19]3[CH:24]=[CH:23][C:22]([NH:25][CH2:26][CH2:27][C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][N:29]=4)=[CH:21][CH:20]=3)=[O:17])=[CH:12][CH:13]=[CH:14][CH:15]=2)=[CH:6][CH:5]=1)(=[O:3])[CH3:2].[BH4-].[Na+]>CO>[OH:3][CH:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:11]([C:16]([NH:18][C:19]3[CH:24]=[CH:23][C:22]([NH:25][CH2:26][CH2:27][C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][N:29]=4)=[CH:21][CH:20]=3)=[O:17])=[CH:12][CH:13]=[CH:14][CH:15]=2)=[CH:6][CH:5]=1)[CH3:2] | 2 |
Cl[C:2]1[C:7]2[N:8]=[C:9]([C:11]3[CH:12]=[C:13]([CH:31]=[CH:32][CH:33]=3)[C:14]([NH:16][CH2:17][CH2:18][CH:19]3[CH2:24][CH2:23][N:22]([C:25]4[CH:30]=[CH:29][N:28]=[CH:27][CH:26]=4)[CH2:21][CH2:20]3)=[O:15])[S:10][C:6]=2[CH:5]=[CH:4][CH:3]=1.FC(F)(F)C(O)=O.N1(C2C=CN=CC=2)CCC(CCN)CC1.S1C2C=CC=CC=2N=C1C1C=C(C=CC=1[Cl:74])C(O)=O.ClC1C2N=C(C3C=C(B(O)O)C=CC=3)SC=2C=CC=1.COC(=O)C1C=CC(Cl)=C(CO)C=1>>[S:10]1[C:6]2[CH:5]=[CH:4][CH:3]=[CH:2][C:7]=2[N:8]=[C:9]1[C:11]1[CH:12]=[C:13]([CH:31]=[CH:32][C:33]=1[Cl:74])[C:14]([NH:16][CH2:17][CH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:25]2[CH:26]=[CH:27][N:28]=[CH:29][CH:30]=2)[CH2:23][CH2:24]1)=[O:15] | 2 |
[OH:1][CH2:2][C:3]([C:6]1[O:10][N:9]=[C:8]([NH:11][C:12]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[N:22]=[C:23]4[N:27]([CH:28]=3)[C:26]3[CH:29]=[CH:30][C:31]([O:33][CH2:34][CH2:35][N:36]5[CH2:41][CH2:40][O:39][CH2:38][CH2:37]5)=[CH:32][C:25]=3[S:24]4)=[CH:17][CH:16]=2)=[O:13])[CH:7]=1)([CH3:5])[CH3:4].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>ClCCl>[CH3:5][C:3]([C:6]1[O:10][N:9]=[C:8]([NH:11][C:12]([NH:14][C:15]2[CH:16]=[CH:17][C:18]([C:21]3[N:22]=[C:23]4[N:27]([CH:28]=3)[C:26]3[CH:29]=[CH:30][C:31]([O:33][CH2:34][CH2:35][N:36]5[CH2:37][CH2:38][O:39][CH2:40][CH2:41]5)=[CH:32][C:25]=3[S:24]4)=[CH:19][CH:20]=2)=[O:13])[CH:7]=1)([CH3:4])[CH:2]=[O:1] | 1 |
COC1=NC=C(C(=N1)OC)B(O)O.ClC=1C=C(C=2N(N1)C=CN2)N2C[C@@H](C(C2)(F)F)O>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3cccc(OC)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>COC1=NC=C(C(=N1)OC)C=1C=C(C=2N(N1)C=CN2)N2CC(C(C2)(F)F)O | 3 |
Br[C:2]1[O:6][CH:5]=[C:4]([C:7]([O:9][CH2:10][CH3:11])=[O:8])[CH:3]=1.[CH3:12][C:13]1[C:14](B2OC(C)(C)C(C)(C)O2)=[CH:15][C:16]([NH:19][C:20](=[O:22])[CH3:21])=[N:17][CH:18]=1.C([O-])([O-])=O.[K+].[K+]>O.C1(C)C=CC=CC=1.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:20]([NH:19][C:16]1[CH:15]=[C:14]([C:2]2[O:6][CH:5]=[C:4]([C:7]([O:9][CH2:10][CH3:11])=[O:8])[CH:3]=2)[C:13]([CH3:12])=[CH:18][N:17]=1)(=[O:22])[CH3:21] | 1 |
C(Cl)(=O)C(Cl)=O.[OH:7][C@@:8]([CH3:16])([C:12]([F:15])([F:14])[F:13])[C:9](O)=[O:10].[Cl:17][C:18]1[CH:24]=[C:23]([I:25])[CH:22]=[CH:21][C:19]=1[NH2:20].C(C1C=CC=C(C(C)(C)C)N=1)(C)(C)C>ClCCl.CN(C=O)C>[Cl:17][C:18]1[CH:24]=[C:23]([I:25])[CH:22]=[CH:21][C:19]=1[NH:20][C:9](=[O:10])[C@:8]([OH:7])([CH3:16])[C:12]([F:15])([F:14])[F:13] | 1 |
[CH3:1][C:2]1([CH3:36])[N:6]([C:7]2[S:8][C:9]3[CH2:15][CH2:14][O:13][C:12]4[CH:16]=[C:17]([CH:20]5[CH2:25][CH2:24][N:23](C(OC(C)(C)C)=O)[CH2:22][CH2:21]5)[CH:18]=[CH:19][C:11]=4[C:10]=3[N:33]=2)[C:5](=[O:34])[NH:4][C:3]1=[O:35]>FC(F)(F)C(O)=O.ClCCl>[NH:23]1[CH2:22][CH2:21][CH:20]([C:17]2[CH:18]=[CH:19][C:11]3[C:10]4[N:33]=[C:7]([N:6]5[C:2]([CH3:36])([CH3:1])[C:3](=[O:35])[NH:4][C:5]5=[O:34])[S:8][C:9]=4[CH2:15][CH2:14][O:13][C:12]=3[CH:16]=2)[CH2:25][CH2:24]1 | 1 |
ClC=1C2=C(N=CN1)N(C=C2)[C@@H]2C=C([C@H]1OC(O[C@H]12)(C)C)C(C)O.ClC=1C(=NC2=CC(=CC(=C2C1)F)O)NCC1=CC=C(C=C1)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>ClC=1C(=NC2=CC(=CC(=C2C1)F)OC(C)C1=C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N2C=CC1=C2N=CN=C1Cl)NCC1=CC=C(C=C1)OC | 3 |
N1=CC(=CC=C1)C=O.[N+](#[C-])CC(=O)N1CCOCC1>CO[H].[OH-].[K+]>N1=CC(=CC=C1)[C@H]1[C@@H](N=CO1)C(=O)N1CCOCC1 | 3 |
[Br:1][C:2]1[C:3]([CH3:12])=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[C:5](O)=[O:6]>C1COCC1>[Br:1][C:2]1[C:3]([CH3:12])=[C:4]([CH2:5][OH:6])[CH:8]=[CH:9][C:10]=1[CH3:11] | 1 |
CP(=O)(C)C=1C=C(C(=O)OC)C=CC1>O.CO[H].[OH-].[Li+]>CP(=O)(C)C=1C=C(C(=O)O)C=CC1 | 3 |
BrCC(=O)OC(C)(C)C.ClC=1C=C(C=CC1C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C)NC(=O)C=1N(C(=CN1)C1=C(C(=C(C=C1)C=1C=NN(C1C)CCOC)F)F)C>CC#N.C(C)(C)N(C(C)C)CC>ClC1=C(C(=O)N2CCN(CC2)C(=O)C2CC[N+](CC2)(C)CC(=O)OC(C)(C)C)C=CC(=C1)NC(=O)C=1N(C(=CN1)C1=C(C(=C(C=C1)C=1C=NN(C1C)CCOC)F)F)C | 4 |
[H-].[Na+].[C:3]([O:11][CH2:12][CH3:13])(=[O:10])[CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6].Br[C:15]1[C:20]([F:21])=[CH:19][C:18]([F:22])=[CH:17][C:16]=1[F:23].Cl>O.COC(C)(C)C.O1CCOCC1>[F:21][C:20]1[CH:15]=[C:16]([F:23])[CH:17]=[C:18]([F:22])[C:19]=1[CH:4]([C:5]([O:7][CH2:8][CH3:9])=[O:6])[C:3]([O:11][CH2:12][CH3:13])=[O:10] | 1 |
Br[C:2]1[N:6]2[CH:7]=[CH:8][C:9]([C:11]([CH3:21])([O:13][Si:14]([CH2:19][CH3:20])([CH2:17][CH3:18])[CH2:15][CH3:16])[CH3:12])=[N:10][C:5]2=[N:4][CH:3]=1.C([Mg]Cl)(C)C.[CH2:27]([Sn:31](Cl)([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:28][CH2:29][CH3:30]>O1CCCC1>[CH3:12][C:11]([C:9]1[CH:8]=[CH:7][N:6]2[C:2]([Sn:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:27][CH2:28][CH2:29][CH3:30])=[CH:3][N:4]=[C:5]2[N:10]=1)([O:13][Si:14]([CH2:19][CH3:20])([CH2:17][CH3:18])[CH2:15][CH3:16])[CH3:21] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([NH:13][C:14]([O:16][CH2:17][CH2:18][Si:19]([CH3:22])([CH3:21])[CH3:20])=[O:15])[C@H:10]([C:23](O)=[O:24])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].CSC.B.CO>C1COCC1>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([NH:13][C:14]([O:16][CH2:17][CH2:18][Si:19]([CH3:20])([CH3:22])[CH3:21])=[O:15])[C@H:10]([CH2:23][OH:24])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 2 |
N(=[N+]=[N-])C[C@H](COC)NC(OC(C)(C)C)=O>>NC[C@H](COC)NC(OC(C)(C)C)=O | 5 |
[NH2:1][C:2]1[CH:22]=[CH:21][C:5]([CH2:6][N:7]([CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)[C:8]([C:10]2[O:11][CH:12]=[CH:13][CH:14]=2)=[O:9])=[CH:4][CH:3]=1.C1C2C(COC([NH:40][C@@H:41]([CH3:45])[C:42](O)=[O:43])=O)C3C(=CC=CC=3)C=2C=CC=1>>[NH2:40][C@@H:41]([CH3:45])[C:42]([NH:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][N:7]([CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)[C:8]([C:10]2[O:11][CH:12]=[CH:13][CH:14]=2)=[O:9])=[CH:21][CH:22]=1)=[O:43] | 2 |
[C:1]([C:3]1[CH:4]=[N:5][N:6]([C:13]2[C:18]([Cl:19])=[CH:17][C:16]([C:20]([F:23])([F:22])[F:21])=[CH:15][N:14]=2)[C:7]=1[CH:8]=[CH:9][C:10](O)=[O:11])#[N:2].S(Cl)([Cl:26])=O>C1(C)C=CC=CC=1>[C:1]([C:3]1[CH:4]=[N:5][N:6]([C:13]2[C:18]([Cl:19])=[CH:17][C:16]([C:20]([F:23])([F:22])[F:21])=[CH:15][N:14]=2)[C:7]=1[CH:8]=[CH:9][C:10]([Cl:26])=[O:11])#[N:2] | 1 |
[CH2:1]([N:3]1[CH2:16][CH2:15][C:6]2[NH:7][C:8]3[CH:9]=[CH:10][C:11]([CH3:14])=[CH:12][C:13]=3[C:5]=2[CH2:4]1)[CH3:2].[CH3:17][C:18]1[CH:25]=[CH:24][C:21]([CH:22]=[CH2:23])=[CH:20][CH:19]=1.[H-].[Na+]>CN(C=O)C>[CH2:1]([N:3]1[CH2:16][CH2:15][C:6]2[N:7]([CH2:23][CH2:22][C:21]3[CH:24]=[CH:25][C:18]([CH3:17])=[CH:19][CH:20]=3)[C:8]3[CH:9]=[CH:10][C:11]([CH3:14])=[CH:12][C:13]=3[C:5]=2[CH2:4]1)[CH3:2] | 1 |
COC1=C(C(=CC(=C1OC)OC)C)Br.BrCCCCCCCCCC(=O)Cl>[Al](Cl)(Cl)Cl.ClCCCl>BrCCCCCCCCCC(=O)C1=C(C(=C(C=C1C)OC)OC)OC | 3 |
BrCC(=O)OCC.C(C)C=1NC2=CC=CC=C2C1CC1=CC=C(C=C1)[N+](=O)[O-]>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)C=1N(C2=CC=CC=C2C1CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OCC | 3 |
COC1=CC=C(COC2=CC(=NC3=C(C(=CC=C23)OC)Cl)C=2SC=C(N2)C)C=C1>>ClC=1C(=CC=C2C(=CC(=NC12)C=1SC=C(N1)C)O)OC | 5 |
CO[CH:3]([O:14]C)[C:4]1[CH:5]=[C:6]([CH3:13])[C:7]([CH:11]=O)=[N:8][C:9]=1[CH3:10].[S:16]1C[C:19](=[O:21])[NH:18][C:17]1=[O:22].N1CCCCC1.Cl>C(O)C.O>[CH:3]([C:4]1[CH:5]=[C:6]([CH3:13])[C:7](=[C:11]2[S:16][C:17](=[O:22])[NH:18][C:19]2=[O:21])[NH:8][C:9]=1[CH3:10])=[O:14] | 1 |
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC2=CC(=CC=C12)C=1N=C(SC1C)C1=CN=NC=C1)C1=C(C=CC=C1F)F>C1CCCO1.CO[H].C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(C(=CC=C1)F)C=1NC2=CC=C(C=C2C1)C=1N=C(SC1C)C1=CN=NC=C1 | 3 |
BrC=1C=C2C(=NC(=NN2C1)CO)OC>ClCCl.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+]>COC1=NC(=NN2C1=CC(=C2)B2OC(C(O2)(C)C)(C)C)CO | 3 |
C(=C)(C)C=1C=NN2C1N=C(C=C2)C(=O)NC=2C=NC=CC2[C@H]2C[C@H](C[C@H](C2)C)NC(OC(C)(C)C)=O>>N[C@@H]1C[C@@H](C[C@@H](C1)C)C1=C(C=NC=C1)NC(=O)C1=NC=2N(C=C1)N=CC2C(C)C | 5 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:21][C:22]1[CH:27]=[CH:26][C:25]([O:28]CC2C=CC=CC=2)=[C:24]([O:36]CC2C=CC=CC=2)[CH:23]=1)[C:10]([O:12][C@H:13]([CH3:20])[C@H:14]([O:16][C:17](=[O:19])[CH3:18])[CH3:15])=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].[H][H]>CO.[Pd]>[OH:36][C:24]1[CH:23]=[C:22]([CH2:21][C@H:9]([NH:8][C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[C:10]([O:12][C@H:13]([CH3:20])[C@H:14]([O:16][C:17](=[O:19])[CH3:18])[CH3:15])=[O:11])[CH:27]=[CH:26][C:25]=1[OH:28] | 1 |
ClC=1C=C(C=CC1Cl)CC(=O)N1CCNC2CCCC(C12)N1CCCC1>>C(C)OC(=O)N1CCN(C2C(CCCC12)N1CCCC1)C(CC1=CC(=C(C=C1)Cl)Cl)=O | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:9])=[O:8].N>C(O)C.[Ni]>[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:9])=[O:8].[C:7]1(=[O:9])[NH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
C(=O)(O)N.[C:5]([NH:13][C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH2:16][NH2:17])(=O)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.CC1C=CC=CC=1C>C(#N)C>[C:6]1([C:5]2[NH:17][CH2:16][C:15]3[C:14](=[CH:21][CH:20]=[CH:19][CH:18]=3)[N:13]=2)[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 2 |
Cl[S:2]([N:5]=[C:6]=[O:7])(=[O:4])=[O:3].[CH3:8][O:9][C:10]1[CH:19]=[CH:18][CH:17]=[C:12]([C:13]([O:15][CH3:16])=[O:14])[C:11]=1[OH:20]>C1(C)C(C)=CC=CC=1>[CH3:16][O:15][C:13](=[O:14])[C:12]1[CH:17]=[CH:18][CH:19]=[C:10]([O:9][CH3:8])[C:11]=1[O:20][S:2]([N:5]=[C:6]=[O:7])(=[O:4])=[O:3] | 1 |
C([O:3][C:4]([C:6]1[S:10][N:9]=[C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=2)[N:7]=1)=O)C.[BH4-].[Na+]>CO>[CH3:18][O:17][C:14]1[CH:13]=[CH:12][C:11]([C:8]2[N:7]=[C:6]([CH2:4][OH:3])[S:10][N:9]=2)=[CH:16][CH:15]=1 | 1 |
C(=C)C(=O)C.IC1=CN=C(S1)OC1=CC=C(C=C1)OC(C)C>N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC.[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)OC1=CC=C(OC=2SC(=CN2)/C=C/C(C)=O)C=C1 | 3 |
C[O:2][C:3]([C:5]1[N:6]=[C:7]([C:23]#[N:24])[C:8]2[C:13]([C:14]=1[OH:15])=[CH:12][CH:11]=[C:10]([O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[CH:9]=2)=O.[C:25]([O:29][C:30]([C:32]1([CH2:39][NH2:40])[CH2:37][CH2:36][S:35](=[O:38])[CH2:34][CH2:33]1)=[O:31])([CH3:28])([CH3:27])[CH3:26]>CCO>[C:25]([O:29][C:30]([C:32]1([CH2:39][NH:40][C:3]([C:5]2[N:6]=[C:7]([C:23]#[N:24])[C:8]3[C:13]([C:14]=2[OH:15])=[CH:12][CH:11]=[C:10]([O:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH:9]=3)=[O:2])[CH2:33][CH2:34][S:35](=[O:38])[CH2:36][CH2:37]1)=[O:31])([CH3:28])([CH3:27])[CH3:26] | 1 |
N1(CCNCC1)C(C)C1=CC=C2C=CC=NC2=C1.ClC1=NC=C(C=N1)S(=NC(C(F)(F)F)=O)(=O)C>N(C)(C)C=O.O.CCN(CC)CC>FC(C(=O)N=S(C=1C=NC(=NC1)N1CCN(CC1)C(C)C1=CC=C2C=CC=NC2=C1)(=O)C)(F)F | 3 |
[CH3:1][C@@H:2]1[CH2:7][N:6]([CH2:8][C:9]2[CH:14]=[CH:13][C:12]([N+:15]([O-])=O)=[CH:11][CH:10]=2)[CH2:5][C@H:4]([CH3:18])[N:3]1[C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20].[Cl-].[NH4+]>CO.O.[Fe]>[NH2:15][C:12]1[CH:13]=[CH:14][C:9]([CH2:8][N:6]2[CH2:5][C@H:4]([CH3:18])[N:3]([C:19]([O:21][C:22]([CH3:23])([CH3:25])[CH3:24])=[O:20])[C@H:2]([CH3:1])[CH2:7]2)=[CH:10][CH:11]=1 | 1 |
N1=C(C=CC=2CCCNC12)CCCC(N)=S.ClCC(CC(CC(=O)OCC)C1=CC(=C(C(=C1)C(C)C)OC)C(C)C)=O>CCO[H]>C(C)(C)C=1C=C(C=C(C1OC)C(C)C)C(CC(=O)OCC)CC=1N=C(SC1)CCCC1=NC=2NCCCC2C=C1 | 3 |
CI.FC1=C(C(=O)O)C(=CC=C1)O>N(C)(C)C=O.C(C)OCC.C([O-])([O-])=O.[K+].[K+]>FC1=C(C(=O)OC)C(=CC=C1)OC | 3 |
ClC=1N=C(N(C1C1=C(C=CC=C1F)F)C1=CC(=CC=C1)F)C#C[Si](C)(C)C.BrC=1N(C(=C(N1)Cl)C1=C(C=CC=C1F)F)C1=CC(=CC=C1)F>>ClC=1N=C(N(C1C1=C(C=CC=C1F)F)C1=CC(=CC=C1)F)C#C | 5 |
C(CC)NC1=C(SC(=C1)C1=CC=NC=C1)C(=O)O>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21.[Cl-].[NH4+]>C(CC)NC1=C(SC(=C1)C1=CC=NC=C1)C(=O)N | 3 |
ClC=1C=C(C(=NC1OC)N)[N+](=O)[O-]>O.CO[H].Cl.N(=O)OC(C)(C)C>ClC=1C(=NC(=C(C1)[N+](=O)[O-])OC)OC | 3 |
O1C(CCCC1)N1N=CC(=C1)N.ClC1=NC2=CC=C(C=C2C(=N1)Cl)SC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC1=NC2=CC=C(C=C2C(=N1)NC=1C=NN(C1)C1OCCCC1)SC | 3 |
C(C)(C)(C)OC(CCCC(=O)O)=O>O.CO[H].C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(CCCC(=O)[O-])=O.[Cs+] | 3 |
C(#C)C1=CC=CC2=CC=CC=C12>CC#N.C1(=CC=NC=C1)N(C)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(=O)OCC.CN1C(CCCC1(C)C)(C)C>C1(=CC=CC2=CC=CC=C12)C#CC(=O)OCC | 3 |
CC=1NC(C(=CN1)C#N)=O>Cl>CC=1NC(C(=CN1)C(=O)O)=O | 3 |
[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([NH2:17])[CH:15]=2)[C:10]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[N:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:24](=O)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(O)(=O)C>ClCCCl>[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([NH:17][CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH:15]=2)[C:10]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[N:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
C(#N)C=1C=CC=C2C(=CN(C12)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C.ClC=1C=C(C(N(N1)CC)=O)OC>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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)N1N=C(C=C(C1=O)OC)C1=CNC2=C(C=CC=C12)C#N | 3 |
[Br:1][C:2]1[C:3]([C:8]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][C:17]([C:19]3[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=3)=O)[CH2:12][CH2:11]2)=[O:9])=[N:4][N:5]([CH3:7])[CH:6]=1.Cl.[O:27]([NH2:29])[CH3:28]>C(O)C>[CH3:28][O:27][N:29]=[C:17]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)[CH2:16][N:13]1[CH2:14][CH2:15][N:10]([C:8]([C:3]2[C:2]([Br:1])=[CH:6][N:5]([CH3:7])[N:4]=2)=[O:9])[CH2:11][CH2:12]1 | 1 |
C(OCC[Si](C)(C)C)Cl.ClC=1N=C(C2=C(N1)NC=C2)Cl>N(C)(C)C=O.C(C)(=O)OCC.[H-].[Na+]>ClC=1N=C(C2=C(N1)N(C=C2)COCC[Si](C)(C)C)Cl | 3 |
FC1=C(C=C(C=C1)OC(F)(F)F)CN.C(C)(C)(C)OC(=O)N1CC(C1)C1=CC2=C(N=NC(=C2)CCCCN2N=NC(=C2)C(=O)O)N1>N(C)(C)C=O.ClCCl.[OH-].[Na+].OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC1=C(CNC(=O)C=2N=NN(C2)CCCCC2=CC3=C(N=N2)NC(=C3)C3CN(C3)C(=O)OC(C)(C)C)C=C(C=C1)OC(F)(F)F | 3 |
OC1(CC(CCC1C1=C(C=CC=C1)OC)=O)C(=O)O>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>COC1=C(C=CC=C1)C1CCC(C=C1C(=O)O)=O | 3 |
COC(C(=C)C)=O.BrC1=CC(=C(C=C1)F)OC>>FC1=C(C=C(C=C1)C=C(C(=O)OC)C)OC | 5 |
CS(=O)(=O)N1CCCC=C1>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>CS(=O)(=O)N1CC2OC2CC1 | 3 |
BrCC=C.O[C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC>N(C)(C)C=O.[H-].[Na+].[O-2].[Ag+].[Ag+]>C(C=C)O[C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
C(C1=CC=CC=C1)ON>[OH-].[Na+].C1=CC=CC=C1.C=O>C(C1=CC=CC=C1)ON=C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:6]=[C:7]([Cl:11])[C:8]=1[O:9][CH3:10])[NH2:5].CCN(C1C=CC=CC=1)CC.Cl[C:24]([O:26][CH:27]([CH3:29])[CH3:28])=[O:25]>C1C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[C:4]([NH:5][C:24](=[O:25])[O:26][CH:27]([CH3:29])[CH3:28])[CH:6]=[C:7]([Cl:11])[C:8]=1[O:9][CH3:10] | 1 |
O[C:2]1[CH:3]=[CH:4][C:5]2[C:9]([C:10]([C:12]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20][N:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)=[CH:14][CH:13]=3)=[O:11])=[C:8]([C:27]3[CH:32]=[CH:31][C:30](O)=[CH:29][CH:28]=3)[S:7][C:6]=2[CH:34]=1.[CH2:35]([N:39]=[C:40]=[O:41])[CH2:36][CH2:37][CH3:38]>O1CCCC1>[CH2:35]([NH:39][C:40]([C:2]1[CH:3]=[CH:4][C:5]2[C:9]([C:10]([C:12]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20][N:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)=[CH:14][CH:13]=3)=[O:11])=[C:8]([C:27]3[CH:32]=[CH:31][C:30]([C:40](=[O:41])[NH:39][CH2:35][CH2:36][CH2:37][CH3:38])=[CH:29][CH:28]=3)[S:7][C:6]=2[CH:34]=1)=[O:41])[CH2:36][CH2:37][CH3:38] | 1 |
ClC1=C(C=C(C=C1)[N+](=O)[O-])C=1OC2=C(N1)C=C(C=C2)C2=CC=C(C=C2)OC(C)C>[Fe].CCO[H].[Cl-].[NH4+]>ClC1=C(C=C(C=C1)N)C=1OC2=C(N1)C=C(C=C2)C2=CC=C(C=C2)OC(C)C | 3 |
[C:1]([O:6]CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(=[O:5])[C:2]([CH3:4])=[CH2:3].C(OCCC[Si:35]([O:42][CH2:43]C)([O:39][CH2:40]C)[O:36][CH2:37]C)(=O)C(C)=C.C(OCCC[Si](C)(OC)OC)(=O)C(C)=C.C(OCCC[Si](C)(OCC)OCC)(=O)C(C)=C>>[C:1]([O:6][Si:35]([O:42][CH3:43])([O:39][CH3:40])[O:36][CH3:37])(=[O:5])[C:2]([CH3:4])=[CH2:3] | 2 |
CNC(=O)N.C(#N)C(C(=O)OCC)C>CO[H].C[O-].[Na+]>Cl.NC1=C(C(NC(N1C)=O)=O)C | 3 |
C1(=CC=CC=C1)OC.C1(=CC=CC=C1)C(C(=O)Cl)CC>C1=CC=CC=C1.[Sn](Cl)(Cl)(Cl)Cl>COC1=CC=C(C=C1)C(C(CC)C1=CC=CC=C1)=O | 3 |
N[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:8]1[C:21]2=[C:22]3[C:23]4[C:18](C=C2)=[C:17]2[CH:24]=[CH:25]C=C[C:16]2=[CH:15][C:14]=4[CH:13]=[CH:12][C:11]3=[CH:10][CH:9]=1>>[CH:6]1[C:7]2=[C:16]3[C:17](=[CH:24][CH:25]=[C:2]2[CH:3]=[CH:4][CH:5]=1)[CH:18]=[C:23]1[C:14]([CH:13]=[CH:12][C:11]2[CH:10]=[CH:9][CH:8]=[CH:21][C:22]=21)=[CH:15]3 | 2 |
Br.BrCCN(CC)CC.ClC1=C(C=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C=C1)NC1=C2C(=NC=N1)NN=C2>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C=C1)NC1=C2C(=NC=N1)N(N=C2)CCN(CC)CC | 3 |
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