smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]([CH2:14][CH:15]3[CH2:19][CH2:18][N:17]([C:20]([CH:22]4[CH2:24][CH2:23]4)=[O:21])[CH2:16]3)[C:10]([CH3:13])=[CH:11][N:12]=2)=[CH:4][CH:3]=1.[CH3:25][C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1.C([O-])([O-])=O.[K+].[K+]>O1CCOCC1.O.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>[CH:22]1([C:20]([N:17]2[CH2:18][CH2:19][CH:15]([CH2:14][N:9]3[C:10]([CH3:13])=[CH:11][N:12]=[C:8]3[C:5]3[CH:6]=[CH:7][C:2]([C:29]4[CH:30]=[CH:31][C:26]([CH3:25])=[CH:27][CH:28]=4)=[CH:3][CH:4]=3)[CH2:16]2)=[O:21])[CH2:24][CH2:23]1 | 2 |
[CH3:1][O:2][C:3](=[O:27])[C:4]1[CH:9]=[CH:8][C:7]([S:10]([N:13]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15]([C:22]3[CH2:26][CH2:25][CH2:24][CH:23]=3)=[CH:14]2)(=[O:12])=[O:11])=[CH:6][CH:5]=1>C(O)C.C(OCC)(=O)C.[Pd]>[CH3:1][O:2][C:3](=[O:27])[C:4]1[CH:9]=[CH:8][C:7]([S:10]([N:13]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15]([CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)=[CH:14]2)(=[O:11])=[O:12])=[CH:6][CH:5]=1 | 1 |
C(C)(C)(C)OC(=O)N[C@H](CC(C)(C)C)C(=O)O.COC([C@@H](N)CC=1C=NC(=CC1)C(F)(F)F)=O>>COC([C@@H](NC([C@H](NC(=O)OC(C)(C)C)CC(C)(C)C)=O)CC=1C=NC(=CC1)C(F)(F)F)=O | 5 |
C(C)(C)(C)OC(=O)N1CC(CC1)=O.C(C)OC(CN1N=CC(=C1)C=O)=O>>C(C)(C)(C)OC(=O)N1CC(/C(/C1)=C/C=1C=NN(C1)CC(=O)OCC)=O | 5 |
BrC1=CC(=C(C=C1F)NC1=C(OC2=C1C=NC=C2)C(=O)OCC)F>[Cu]I.ClCCl.O1CCOCC1.[I-].[Na+].[Cu].CN[C@H]1[C@@H](CCCC1)NC>FC1=C(C=C(C(=C1)I)F)NC1=C(OC2=C1C=NC=C2)C(=O)OCC | 3 |
[O:1]([CH2:8][C:9]1[CH:18]=[C:12]2[C:13](=[O:17])[NH:14][CH2:15][CH2:16][N:11]2[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.Cl[C:60]1[N:65]=[C:64]([O:66][CH3:67])[C:63]([F:68])=[CH:62][N:61]=1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[F:68][C:63]1[C:64]([O:66][CH3:67])=[N:65][C:60]([N:14]2[CH2:15][CH2:16][N:11]3[N:10]=[C:9]([CH2:8][O:1][C:2]4[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=4)[CH:18]=[C:12]3[C:13]2=[O:17])=[N:61][CH:62]=1 | 1 |
O.[NH2:2][NH2:3].C1(C)C=CC(S(O)(=O)=O)=CC=1.[OH:15][C:16]1[CH:33]=[CH:32][C:31]2[C@@H:30]3[C@H:21]([C@H:22]4[C@@:26]([CH2:28][C@@H:29]3[C:34]3[CH:39]=[CH:38][C:37]([O:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][S:46]([CH2:49][CH2:50][CH2:51][C:52]([F:58])([F:57])[C:53]([F:56])([F:55])[F:54])(=[O:48])=[O:47])=[CH:36][CH:35]=3)([CH3:27])[C:25](=O)[CH2:24][CH2:23]4)[CH2:20][CH2:19][C:18]=2[CH:17]=1.C(=O)(O)[O-].[Na+]>CO>[OH:15][C:16]1[CH:33]=[CH:32][C:31]2[C@@H:30]3[C@H:21]([C@H:22]4[C@@:26]([CH2:28][C@@H:29]3[C:34]3[CH:39]=[CH:38][C:37]([O:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][S:46]([CH2:49][CH2:50][CH2:51][C:52]([F:58])([F:57])[C:53]([F:56])([F:55])[F:54])(=[O:48])=[O:47])=[CH:36][CH:35]=3)([CH3:27])[C:25](=[N:2][NH2:3])[CH2:24][CH2:23]4)[CH2:20][CH2:19][C:18]=2[CH:17]=1 | 1 |
ClC1=C2C(=NC=N1)N(N=C2)C2OCCCC2.CC1=CC=C(C=C1)C1=NOC(=N1)N1C[C@H](CC1)N>>CC1=CC=C(C=C1)C1=NOC(=N1)N1C[C@H](CC1)NC1=C2C(=NC=N1)NN=C2 | 5 |
[Br:1][C:2]1[C:3](=[O:9])[NH:4][C:5](=[O:8])[NH:6][CH:7]=1.[CH3:10]/C(/O[Si](C)(C)C)=N\[Si](C)(C)C.[F:22][C:23]1[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[C:24]=1[CH2:25]Br>ClC(Cl)C>[Br:1][C:2]1[C:3](=[O:9])[NH:4][C:5](=[O:8])[N:6]([CH2:25][C:24]2[C:23]([F:22])=[CH:30][CH:29]=[CH:28][C:27]=2[F:31])[C:7]=1[CH3:10] | 1 |
[CH3:1][O:2][C:3]1[N:4]=[C:5]([CH3:12])[C:6]([C:9]([OH:11])=[O:10])=[N:7][CH:8]=1.[F:13][C:14]([F:18])([F:17])CO>>[CH3:12][C:5]1[C:6]([C:9]([OH:11])=[O:10])=[N:7][CH:8]=[C:3]([O:2][CH2:1][C:14]([F:18])([F:17])[F:13])[N:4]=1 | 1 |
C(C)OC(=O)C1=C(N=C(O1)C1(CCCCC1)C)C>>CC=1N=C(OC1CO)C1(CCCCC1)C | 5 |
ClC1=C(C(=CC=C1)Cl)C(=NO)Cl.C(#C)C=1C=C(C=CC1)NC(CNC(OC(C)(C)C)=O)=O>C1CCCO1.CCN(CC)CC>ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1)C=1C=C(C=CC1)NC(CNC(OC(C)(C)C)=O)=O | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)S(=O)(=O)Cl.O[C@@H](C(=O)OCC)[C@H](C1=CC=C(C=C1)OC)O>ClCCl.CCN(CC)CC>O[C@H]([C@H](C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C1=CC=C(C=C1)OC | 3 |
CB1OB(OB(O1)C)C.NC1=CC2=C(N(C(C(O2)(C)C)=O)C2=CC=C(C=C2)F)C(=C1)Br>>NC1=CC2=C(N(C(C(O2)(C)C)=O)C2=CC=C(C=C2)F)C(=C1)C | 5 |
IC1=CC=C(C=C1)N.C(#CCC)C1=CC=CC=C1>[Cu]I.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].C(C)(C)N(C(C)C)CC>C1(=CC=CC=C1)CCC#CC1=CC=C(N)C=C1 | 3 |
Cl.C1(=CC=CC=C1)CC(OCC)=N.NC1=NC=CC=C1OC(C)C1=CC=CC=C1>CCO[H]>Cl.C1(=CC=CC=C1)C(C)OC=1C(=NC=CC1)NC(CC1=CC=CC=C1)=N | 3 |
C1(CCCCC1)C(=O)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C>>C1(CCCCC1)C(C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C)=NN | 5 |
ClCC=1N=C(SC1)C1=CC=CC=C1.SC1=NC=2C=CC=C3CCCN1C23>CCO[H]>C1(=CC=CC=C1)C=1SC=C(N1)CSC1=NC=2C=CC=C3CCCN1C23 | 3 |
C(#N)CC(=O)N.C(C)OC(C(C(CCCC(=O)OCC)=O)=CN(C)C)=O>>C(#N)C=1C(=NC(=C(C(=O)OCC)C1)CCCC(=O)OCC)O | 5 |
C[O:2][C:3](=[O:25])[C:4]([CH3:24])([CH3:23])[CH2:5][N:6]1[C:11]2[CH:12]=[CH:13][CH:14]=[C:15]([CH:16]([CH3:18])[CH3:17])[C:10]=2[O:9][CH:8]([CH:19]([CH3:21])[CH3:20])[C:7]1=[O:22].[OH-].[Na+]>CO>[CH:19]([CH:8]1[C:7](=[O:22])[N:6]([CH2:5][C:4]([CH3:24])([CH3:23])[C:3]([OH:25])=[O:2])[C:11]2[CH:12]=[CH:13][CH:14]=[C:15]([CH:16]([CH3:18])[CH3:17])[C:10]=2[O:9]1)([CH3:21])[CH3:20] | 2 |
FC=1C=CC(=C(C1)NC=C1C(OC(OC1=O)(C)C)=O)OCCC>>FC1=C2C(C=CNC2=C(C=C1)OCCC)=O | 5 |
[C:1]([NH:4][C:5]1([CH2:10][C:11]([OH:13])=[O:12])[CH2:9][CH2:8][CH2:7][CH2:6]1)(=[O:3])[CH3:2].N[C:15]1(CC(O)=O)CCCCC1.CC#N.O.CC#N>O>[C:1]([NH:4][C:5]1([CH2:10][C:11]([OH:13])=[O:12])[CH2:9][CH2:8][CH2:7][CH2:6][CH2:15]1)(=[O:3])[CH3:2] | 1 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH2:4][CH2:3]1.CCN(CC)CC.Cl[C:21]([O:23][C:24]1[CH:29]=[CH:28][C:27]([N+:30]([O-:32])=[O:31])=[CH:26][CH:25]=1)=[O:22].O>C(Cl)Cl>[N+:30]([C:27]1[CH:28]=[CH:29][C:24]([O:23][C:21]([NH:1][CH:2]2[CH2:3][CH2:4][N:5]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH2:6][CH2:7]2)=[O:22])=[CH:25][CH:26]=1)([O-:32])=[O:31] | 2 |
[CH3:1][NH:2][C:3]1[C:4]2[N:5]([CH:13]=[CH:14][N:15]=2)[C:6]2[C:11]([N:12]=1)=[CH:10][CH:9]=[CH:8][CH:7]=2.[Br:16]N1C(=O)CCC1=O>C(Cl)(Cl)Cl>[Br:16][C:13]1[N:5]2[C:6]3[C:11]([N:12]=[C:3]([NH:2][CH3:1])[C:4]2=[N:15][CH:14]=1)=[CH:10][CH:9]=[CH:8][CH:7]=3 | 2 |
ClC(=O)OC.C(#N)CC(CC(C(=O)O)=O)(C)C>O.C(C)OCC.ClCCl.CCN(CC)CC>C(#N)CC(CC(C(=O)OC)=O)(C)C | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([O:12][CH3:13])=[O:11])=[CH:4][CH:3]=1.[C:14]([O-])([O-])=[O:15].[K+].[K+].C[C:21]([CH3:23])=[O:22]>>[CH3:13][O:12][C:10](=[O:11])[CH2:9][CH2:8][C:5]1[CH:4]=[CH:3][C:2]([O:1][CH2:23][C:21]([O:15][CH3:14])=[O:22])=[CH:7][CH:6]=1 | 1 |
FC1=CC2=C(C=3N(CCO2)C=C(N3)C3=NC(=NN3C(C)C)C)C=C1S(=O)C1CCN(CC1)C(C)C>>FC1=CC2=C(C=3N(CCO2)C=C(N3)C3=NC(=NN3C(C)C)C)C=C1S(=O)(=O)C1CCN(CC1)C(C)C | 5 |
FC=1C=C(CN)C=CC1.C(C)C1=CC=C(C=C1)[C@@H]1NC=2N([C@@H](C1)C(F)(F)F)N=CC2C(=O)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=CC=C(C=C1)[C@@H]1NC=2N([C@@H](C1)C(F)(F)F)N=CC2C(=O)NCC2=CC(=CC=C2)F | 3 |
C(=O)C=1C=CC(=C(C#N)C1)OCC(F)(F)F>O.ClCCl.C(C)(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[K+]>C(#N)C=1C=C(C(=O)O)C=CC1OCC(F)(F)F | 3 |
N1(CCC1)C=1C=C(OC2=CC(=C(C=C2F)S(=O)(=O)N(C2=NC=NS2)CC2=C(C=C(C=C2)OC)OC)F)C=C(C1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>N1(CCC1)C=1C=C(OC2=CC(=C(C=C2F)S(=O)(=O)NC2=NC=NS2)F)C=C(C1)C(F)(F)F | 3 |
C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)OC1=NNC(=C1CC1=CC=C(C=C1)OCC(C)(C)C(=O)OCC1=CC=CC=C1)C(C)C>CO[H].[HH].[Pd]>C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)OC1=NNC(=C1CC1=CC=C(C=C1)OCC(C)(C)C(=O)O)C(C)C | 3 |
ClC=1C=CC(=C(C1)C1=NC=C(C(=C1)NC1=C(C=NC=C1)C(=O)OC)C(C)C)F>C1(=CC=CC=C1)C.C1CCCO1.CC(C)C[AlH]CC(C)C.[Cl-].[NH4+]>ClC=1C=CC(=C(C1)C1=NC=C(C(=C1)NC1=C(C=NC=C1)CO)C(C)C)F | 3 |
FC1=C(C(=CC=C1)F)C=1C=C2C(=NN(C2=CC1)C1OCCCC1)C1=NC(=CN=C1)OC=1C=NC=CC1>CO[H].Cl>FC1=C(C(=CC=C1)F)C=1C=C2C(=NNC2=CC1)C1=NC(=CN=C1)OC=1C=NC=CC1 | 3 |
[CH2:1]=[C:2]1[C:19]2[C@:14]([CH3:21])([CH2:15][CH2:16][C:17](=[O:20])[CH:18]=2)[C@@H:13]2[C@H:4]([C@H:5]3[C@@:9]([CH2:11][CH2:12]2)([CH3:10])[C:8](=[O:22])[CH2:7][CH2:6]3)[CH2:3]1.[OH:23]O.[OH-].[Na+].O>CO>[O:23]1[C:19]23[C@:14]([CH3:21])([CH2:15][CH2:16][C:17](=[O:20])[CH:18]12)[C@@H:13]1[C@H:4]([C@H:5]2[C@@:9]([CH2:11][CH2:12]1)([CH3:10])[C:8](=[O:22])[CH2:7][CH2:6]2)[CH2:3][C:2]3=[CH2:1] | 1 |
[F:1][C:2]([F:13])([F:12])[C:3]1[NH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.[H-].[Na+].Br[C:17]#[C:18][CH3:19].P(O)(O)([O-])=O.[Na+]>O1CCCC1>[CH2:19]([N:4]1[C:5]2[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=2)[CH:11]=[C:3]1[C:2]([F:1])([F:12])[F:13])[C:18]#[CH:17] | 1 |
CC(CC(C(=O)OC)C(=O)OC)=C>>CC(CC(CO)CO)=C | 5 |
[Cl:1][C:2]1[C:3]([F:44])=[C:4]([C@H:8]2[C@H:15]3[N:11]([CH2:12][N:13]([C:17]4[C:25]([O:26][CH3:27])=[CH:24][C:20]([C:21](O)=[O:22])=[C:19]([F:28])[CH:18]=4)[C:14]3=[O:16])[C@@H:10]([CH2:29][C:30]([CH3:33])([CH3:32])[CH3:31])[C@@:9]2([C:36]2[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][C:37]=2[F:43])[C:34]#[N:35])[CH:5]=[CH:6][CH:7]=1.CC[N:47](C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.N>CO.C(Cl)Cl>[Cl:1][C:2]1[C:3]([F:44])=[C:4]([C@H:8]2[C@H:15]3[N:11]([CH2:12][N:13]([C:17]4[C:25]([O:26][CH3:27])=[CH:24][C:20]([C:21]([NH2:47])=[O:22])=[C:19]([F:28])[CH:18]=4)[C:14]3=[O:16])[C@@H:10]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C@@:9]2([C:36]2[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][C:37]=2[F:43])[C:34]#[N:35])[CH:5]=[CH:6][CH:7]=1 | 2 |
[Si:1]([O:8][CH2:9][CH:10]=O)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH3:12][C:13]([S@@:16]([NH2:18])=[O:17])([CH3:15])[CH3:14]>C(Cl)Cl.S([O-])([O-])(=O)=O.[Cu+2]>[Si:1]([O:8][CH2:9]/[CH:10]=[N:18]/[S@:16]([C:13]([CH3:15])([CH3:14])[CH3:12])=[O:17])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2] | 1 |
CN.BrC=1C=C(N(N1)C)C(=O)NN>N(C)(C)C=O.O.C(C)(=O)O.COC(N(C)C)OC>BrC=1C=C(N(N1)C)C1=NN=CN1C | 3 |
Cl.C(C1=CN=CC=C1)(=O)Cl.C1(CCCCC1)C1=C(C=CC=C1)O>c1ccncc1>Cl.C(C1=CN=CC=C1)(=O)OC1=C(C=CC=C1)C1CCCCC1 | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.Br[CH2:10][C:11](=O)[C:12]([O:14][CH2:15][CH3:16])=[O:13]>C(O)C>[Br:8][C:5]1[CH:6]=[CH:7][C:2]2[N:3]([CH:10]=[C:11]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[N:1]=2)[CH:4]=1 | 1 |
COC(=O)C1=NN=C2N1C1=C(C(=NC2)C2=CC=CC=C2)C=C(C=C1)Cl>CO[H].O1CCOCC1.CNC>CN(C(=O)C1=NN=C2N1C1=C(C(=NC2)C2=CC=CC=C2)C=C(C=C1)Cl)C | 3 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:11]3[N:12]([CH3:16])[CH:13]=[CH:14][N:15]=3)[S:10][C:3]=12.[OH:17][C:18]1[CH:23]=[CH:22][C:21]([CH2:24][C:25]([OH:27])=[O:26])=[CH:20][CH:19]=1>>[CH3:16][N:12]1[CH:13]=[CH:14][N:15]=[C:11]1[C:9]1[S:10][C:3]2[C:4](=[N:5][CH:6]=[CH:7][C:2]=2[O:17][C:18]2[CH:19]=[CH:20][C:21]([CH2:24][C:25]([OH:27])=[O:26])=[CH:22][CH:23]=2)[CH:8]=1 | 2 |
ClC=1C(=CC2=C(SCC2O)C1Cl)OC>[OH-].[Na+].C(C)(=O)O.B(F)(F)F.CCOCC>ClC=1C(=CC2=C(SC=C2)C1Cl)OC | 3 |
O.O.[C:3]([O-:15])(=[O:14])[CH2:4][C:5]([CH2:10][C:11]([O-:13])=[O:12])([C:7]([O-:9])=[O:8])[OH:6].[Na+].[Na+].[Na+]>O>[C:3]([OH:15])(=[O:14])[CH2:4][C:5]([CH2:10][C:11]([OH:13])=[O:12])([C:7]([OH:9])=[O:8])[OH:6] | 1 |
BrCCCCC(=O)OCC.COC1=C(C=CC=C1)CCNCC1=CC=C(C(=O)OC)C=C1>>C(C)OC(CCCCN(CCC1=C(C=CC=C1)OC)CC1=CC=C(C(=O)OC)C=C1)=O | 5 |
Cl[CH2:2][C:3]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])=[O:4].[I-:10].[Na+]>CC(C)=O>[I:10][CH2:2][C:3]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])=[O:4] | 1 |
[F:1][C:2]([F:25])([F:24])[C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]3[CH:14]=[CH:15][C:16]4[CH:21]=[C:20]([CH:22]=O)[CH:19]=[CH:18][C:17]=4[C:12]=3[N:11]=[CH:10]2)=[CH:5][CH:4]=1.[NH2:26][NH:27][C:28]([NH:30][C:31]1[C:36]([CH3:37])=[CH:35][C:34](Br)=[CH:33][C:32]=1[CH3:39])=[S:29]>C(O)C>[CH3:37][C:36]1[CH:35]=[CH:34][CH:33]=[C:32]([CH3:39])[C:31]=1[NH:30][C:28]([NH:27]/[N:26]=[CH:22]/[C:20]1[CH:19]=[CH:18][C:17]2[C:12]3[N:11]=[CH:10][N:9]([C:6]4[CH:7]=[CH:8][C:3]([C:2]([F:25])([F:24])[F:1])=[CH:4][CH:5]=4)[C:13]=3[CH:14]=[CH:15][C:16]=2[CH:21]=1)=[S:29] | 2 |
C(C)(C)(C)[Si](C)(C)Cl.C(CCCCCO)O>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(C)(C)(C)[Si](OCCCCCCO)(C)C | 3 |
C([O:5][C:6](=[O:50])[CH2:7][CH:8]([NH:23][C:24](=[O:49])[C@H:25]([CH:46]([CH3:48])[CH3:47])[NH:26][C:27]([C:29]1[N:30]([CH2:38][C:39]([O:41]C(C)(C)C)=[O:40])[C:31]2[C:36]([CH:37]=1)=[CH:35][CH:34]=[CH:33][CH:32]=2)=[O:28])[C:9](=[O:22])[CH2:10][O:11][C:12]1[C:17]([F:18])=[C:16]([F:19])[CH:15]=[C:14]([F:20])[C:13]=1[F:21])(C)(C)C.C(O)(C(F)(F)F)=O>>[C:39]([CH2:38][N:30]1[C:31]2[C:36](=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH:37]=[C:29]1[C:27]([NH:26][C@H:25]([C:24]([NH:23][CH:8]([C:9](=[O:22])[CH2:10][O:11][C:12]1[C:13]([F:21])=[C:14]([F:20])[CH:15]=[C:16]([F:19])[C:17]=1[F:18])[CH2:7][C:6]([OH:50])=[O:5])=[O:49])[CH:46]([CH3:47])[CH3:48])=[O:28])([OH:41])=[O:40] | 1 |
BrC1=CC=C(C=C1)C=1N(C=C(N1)C(F)(F)F)C.FC(OC1=NC=CC=C1C=1N=C(N2C1CNCC2)C)F>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>FC(OC1=NC=CC=C1C=1N=C(N2C1CN(CC2)C2=CC=C(C=C2)C=2N(C=C(N2)C(F)(F)F)C)C)F | 3 |
Cl.N1C[C@H](CCC1)C(C)(C)O.CC1=C(C=CC=C1)C1=NOC=C1C(=O)O>ClCCl.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>CC1=C(C=CC=C1)C1=NOC=C1C(=O)N1C[C@H](CCC1)C(C)(C)O | 3 |
Cl.Cl[C:3]1[N:8]=[CH:7][N:6]=[C:5]([N:9]2[C:13](=[O:14])[C:12]([N:15]3[CH:19]=[CH:18][N:17]=[CH:16]3)=[CH:11][NH:10]2)[CH:4]=1.Cl.[F:21][C:22]1([F:28])[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1.C(N(C(C)C)C(C)C)C>O1CCCC1>[F:21][C:22]1([F:28])[CH2:27][CH2:26][N:25]([C:3]2[N:8]=[CH:7][N:6]=[C:5]([N:9]3[C:13](=[O:14])[C:12]([N:15]4[CH:19]=[CH:18][N:17]=[CH:16]4)=[CH:11][NH:10]3)[CH:4]=2)[CH2:24][CH2:23]1 | 1 |
[Cl:1][C:2]1[N:3]=[C:4]([C:9]([OH:11])=O)[NH:5][C:6]=1[CH2:7][CH3:8].S(Cl)(Cl)=O.[NH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[O:24][C:25]([CH3:32])=[C:26]([C:28]([O:30][CH3:31])=[O:29])[N:27]=2)=[CH:19][C:18]=1[CH3:33]>N1C=CC=CC=1>[CH3:31][O:30][C:28]([C:26]1[N:27]=[C:23]([C:20]2[CH:21]=[CH:22][C:17]([NH:16][C:9]([C:4]3[NH:5][C:6]([CH2:7][CH3:8])=[C:2]([Cl:1])[N:3]=3)=[O:11])=[C:18]([CH3:33])[CH:19]=2)[O:24][C:25]=1[CH3:32])=[O:29] | 1 |
COC1=CC=C(C=C1)N1CCN(CC1)CCCCC1=CNC2=CC=C(C=C12)C#N>c1ccncc1.Cl.N1=CC=CC=C1>OC1=CC=C(C=C1)N1CCN(CC1)CCCCC1=CNC2=CC=C(C=C12)C#N | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH:12]=[C:11]([CH:13]=[C:14]([CH3:16])[CH3:15])[CH:10]=[C:9]2[CH:17]=[CH:18][C:19]([O:21][CH3:22])=[O:20])=[C:4]([C:23](=[O:34])[C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([O:30][CH3:31])[C:25]=2[O:32][CH3:33])[CH:3]=1.[BH4-].[Na+]>CO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH:12]=[C:11]([CH:13]=[C:14]([CH3:16])[CH3:15])[CH:10]=[C:9]2[CH:17]=[CH:18][C:19]([O:21][CH3:22])=[O:20])=[C:4]([CH:23]([C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([O:30][CH3:31])[C:25]=2[O:32][CH3:33])[OH:34])[CH:3]=1 | 2 |
[Mn]([O-])(=O)(=O)=[O:2].[K+].[OH:7][CH2:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]2[CH2:21][CH2:20][N:19]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:18][CH:17]2[O:29][CH2:30][C:31]2[CH:40]=[CH:39][C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[CH:32]=2)=[CH:12][CH:11]=1>O.C(O)(=O)C.[I-].C([N+](CCCC)(CCCC)CCCC)CCC.C1C=CC=CC=1>[C:25]([O:24][C:22]([N:19]1[CH2:20][CH2:21][CH:16]([C:13]2[CH:14]=[CH:15][C:10]([CH2:9][C:8]([OH:2])=[O:7])=[CH:11][CH:12]=2)[CH:17]([O:29][CH2:30][C:31]2[CH:40]=[CH:39][C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[CH:32]=2)[CH2:18]1)=[O:23])([CH3:28])([CH3:26])[CH3:27] | 1 |
C(C)OC1(CC1)O[Si](C)(C)C.N1CC(C1)C(=O)OCC>O.CO[H].CCO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>C1(CC1)N1CC(C1)C(=O)OCC | 3 |
[OH:1][CH2:2][C:3]1[CH:4]=[C:5]([CH2:9][CH:10]([O:16][CH:17]([CH3:19])[CH3:18])[C:11]([O:13]CC)=[O:12])[CH:6]=[CH:7][CH:8]=1.[C:20]1([CH3:29])[CH:25]=[CH:24][C:23]([N:26]=[C:27]=[O:28])=[CH:22][CH:21]=1>>[CH:17]([O:16][CH:10]([CH2:9][C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([CH2:2][O:1][C:27]([NH:26][C:23]2[CH:24]=[CH:25][C:20]([CH3:29])=[CH:21][CH:22]=2)=[O:28])[CH:4]=1)[C:11]([OH:13])=[O:12])([CH3:18])[CH3:19] | 1 |
[N:1]1([CH2:7][C:8]2[C:16]([C:17]([F:20])([F:19])[F:18])=[CH:15][C:11]([C:12](O)=[O:13])=[C:10]([O:21][CH2:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[CH:9]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.C(N(C(C)C)CC)(C)C.[N:38]1[CH:43]=[CH:42][C:41]([NH2:44])=[CH:40][N:39]=1.ON1C2N=CC=CC=2N=N1.C(Cl)CCl>CN(C)C=O>[N:1]1([CH2:7][C:8]2[C:16]([C:17]([F:19])([F:18])[F:20])=[CH:15][C:11]([C:12]([NH:44][C:41]3[CH:42]=[CH:43][N:38]=[N:39][CH:40]=3)=[O:13])=[C:10]([O:21][CH2:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[CH:9]=2)[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1 | 1 |
C(C)(C)(C)OC(=O)N1CC(C(CC1)=O)=CN(C)C.S(=O)(=O)([O-])[O-].CSC(=[NH2+])N.CSC(=[NH2+])N>>C(C)(C)(C)OC(=O)N1CC2=C(N=C(N=C2)SC)CC1 | 5 |
BrC1=CC2=CC3=CC=CC=C3C=C2C=C1.C(CCC)[Sn](C=1SC(=CC1)CCCCCC)(CCCC)CCCC>>C(CCCCC)C1=CC=C(S1)C1=CC2=CC3=CC=CC=C3C=C2C=C1 | 5 |
[CH3:1][O:2][C:3]1[CH:11]=[C:10]2[C:6]([CH:7]=[N:8][NH:9]2)=[CH:5][C:4]=1[NH:12][C:13]1[C:14]2[C:21]3[CH2:22][CH2:23][CH:24]([C:26]([OH:28])=O)[CH2:25][C:20]=3[S:19][C:15]=2[N:16]=[CH:17][N:18]=1.[NH:29]1[CH2:33][C@H:32]([OH:34])[C@@H:31]([OH:35])[CH2:30]1>>[OH:35][C@H:31]1[C@H:32]([OH:34])[CH2:33][N:29]([C:26]([CH:24]2[CH2:23][CH2:22][C:21]3[C:14]4[C:13]([NH:12][C:4]5[CH:5]=[C:6]6[C:10](=[CH:11][C:3]=5[O:2][CH3:1])[NH:9][N:8]=[CH:7]6)=[N:18][CH:17]=[N:16][C:15]=4[S:19][C:20]=3[CH2:25]2)=[O:28])[CH2:30]1 | 2 |
[N+](=O)([O-])C1=C(CN2C(=NC=C2)C=O)C=CC=C1>CCO[H].[HH]>N=1C=CN2C1CNC1=C(C2)C=CC=C1 | 3 |
NC1=C(C=C(C=C1C)C)N.S(=O)=NC1=CC=CC=C1>C1(=CC=CC=C1)C.Cl>CC1=CC(=CC=2C1=NSN2)C | 3 |
[CH:1](=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:9](#[N:12])[CH:10]=[CH2:11].[CH3:13][O-:14].[Na+]>>[C:2]1([C:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[C:10]([CH2:11][O:14][CH3:13])[C:9]#[N:12])[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C([Li])CCC.C(NC(C)C)(C)C.C([N-]C(C)C)(C)C.[Li+].[OH:21][C@@H:22]1[CH2:27][O:26][C:24](=[O:25])[CH2:23]1.[C:28]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])(=[O:30])[CH3:29].Cl>CCCCCC.O1CCCC1.C(OCC)(=O)C>[C:32]([O:31][C:28](=[O:30])[CH2:29][C:24](=[O:25])[CH2:23][C@H:22]([OH:21])[CH2:27][OH:26])([CH3:35])([CH3:34])[CH3:33] | 1 |
COC1=CC=C(C=C1)C1=CC=C2C(=CN(C2=C1)C1=CC(=NC=N1)NC)C1=CC(=CC=C1)[N+](=O)[O-]>[HH].[Ni].CN(C)C=O.CO>NC=1C=C(C=CC1)C1=CN(C2=CC(=CC=C12)C1=CC=C(C=C1)OC)C1=CC(=NC=N1)NC | 3 |
CC[Mg+].[Br-].BrC=1C=CC(=NC1)C=O>C1CCCO1.C(C)OCC>BrC=1C=CC(=NC1)C(CC)O | 3 |
FC1=C(C=CC=C1)N1N=CC2=C(C=CC=C12)N1C(NCC1)=O.ClCC=1SC(=NN1)C>C1CCCO1.[H-].[Na+]>FC1=C(C=CC=C1)N1N=CC2=C(C=CC=C12)N1C(N(CC1)CC=1SC(=NN1)C)=O | 3 |
C(CC(=O)OCC)(=O)OCC.NC1=NC(=CC=C1[N+](=O)[O-])Cl>>NC1=C(C=CC(=N1)C(C(=O)OCC)C(=O)OCC)[N+](=O)[O-] | 5 |
[OH:1][CH2:2][C@@H:3]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])[CH2:4][CH:5]([CH3:7])[CH3:6].Cl[C:17]1[CH:18]=[CH:19][C:20]2[C:30]3[C:25](=[C:26]([NH:31][C:32](=[O:34])[CH3:33])[N:27]=[CH:28][CH:29]=3)[CH:24]([CH3:35])[O:23][C:21]=2[CH:22]=1>>[C:32]([NH:31][C:26]1[N:27]=[CH:28][CH:29]=[C:30]2[C:20]3[CH:19]=[CH:18][C:17]([O:1][CH2:2][C@@H:3]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:13])([CH3:12])[CH3:14])[CH2:4][CH:5]([CH3:7])[CH3:6])=[CH:22][C:21]=3[O:23][CH:24]([CH3:35])[C:25]=12)(=[O:34])[CH3:33] | 1 |
Cl.Cl.[N+](=O)([O-])C=1C(=CC=C2C=CC=NC12)CN>CCO[H].[HH].[Pd]>NCC1=CC=C2C=CC=NC2=C1N | 3 |
C(C)(C)(C)OC(=O)N1C(CCC1)C(=O)O.BrC=1C=C(C(N)=NO)C=CC1>N(C)(C)C=O.n1nn(O)c2ccccc12.C(O)([O-])=O.[Na+].CCN=C=NCCCN(C)C>BrC=1C=C(C=CC1)C1=NOC(=N1)C1N(CCC1)C(=O)OC(C)(C)C | 3 |
CC=1N=CNC1.BrC=1C=C(C=C(C1)C(F)(F)F)N>[Cu]I.C([O-])([O-])=O.[K+].[K+].CS(=O)C.OC=1C=CC=C2C=CC=NC12>CC1N=CN(C1)C=1C=C(C=C(C1)C(F)(F)F)N | 3 |
CC1=CC(=C(C(=O)O)C=C1)O.C(C)(=O)OC(C1=CC=CC=C1)OC(C)=O>S(O)(O)(=O)=O.C(C)(=O)O>CC=1C=CC2=C(OCOC2=O)C1 | 3 |
FC1(C(C1)C(=O)NC=1C=C2C(=NN(C2=CC1)C1OCCCC1)C1=NC2=C(N1)C=CC(=C2)N2CC(OCC2)C)F>>FC1(C(C1)C(=O)NC=1C=C2C(=NNC2=CC1)C1=NC2=C(N1)C=CC(=C2)N2CC(OCC2)C)F | 5 |
[Cl:1][C:2]1[CH:8]=[C:7]([Cl:9])[CH:6]=[C:5]([N+:10]([O-])=O)[C:3]=1[NH2:4].Cl[Sn]Cl.C(O)C.C([O-])(O)=O.[Na+]>C(OCC)(=O)C>[Cl:1][C:2]1[C:3]([NH2:4])=[C:5]([NH2:10])[CH:6]=[C:7]([Cl:9])[CH:8]=1 | 1 |
FC=1C(=CC(=C(C(=O)OC)C1)OC)C1=NNC2=CC=CC(=C12)F.BrCC1=C(C=CC=C1C1CC1)Cl>>ClC1=C(CN2N=C(C3=C(C=CC=C23)F)C2=CC(=C(C(=O)OC)C=C2F)OC)C(=CC=C1)C1CC1 | 5 |
Cl.COC(CNC)=O.C(C)(C)(C)OC(=O)N([C@H](C(=O)N[C@H](C(=O)N1CCN(CC1)C(=O)C=1N(C2=CC(=CC=C2C1C(=O)O)OC)C)C1CCCCC1)C)C>N(C)(C)C=O.Cl.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>Cl.C1(CCCCC1)[C@@H](C(=O)N1CCN(CC1)C(=O)C=1N(C2=CC(=CC=C2C1C(=O)N(CC(=O)OC)C)OC)C)NC([C@H](C)NC)=O | 3 |
CN1CC(CC1)N1N=CC(=C1)NC1=NC(=C2N=CN(C2=N1)COCC[Si](C)(C)C)OC=1C=C(C=CC1)NC(C=C)=O>ClCCl.C(=O)(C(F)(F)F)O>CN1CC(CC1)N1N=CC(=C1)NC1=NC(=C2N=CNC2=N1)OC=1C=C(C=CC1)NC(C=C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([NH2:8])[C:5]([N+:9]([O-])=O)=[CH:4][N:3]=1>CCOC(C)=O.[Ni]>[Cl:1][C:2]1[N:3]=[CH:4][C:5]([NH2:9])=[C:6]([NH2:8])[CH:7]=1 | 1 |
FC1=NC=CC(=C1C(C1CN(C1)C(=O)OC(C)(C)C)O)I>ClCCl.[OH-].[Na+].C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>FC1=C(C(=O)C2CN(C2)C(=O)OC(C)(C)C)C(=CC=N1)I | 3 |
C(C)OC(NC(NC1=NC=C(C=C1)OC1=CC(=CC=C1)NC(=O)C1=NC=CC=C1C)=S)=O>>NC1=NN2C(C=CC(=C2)OC=2C=C(C=CC2)NC(=O)C2=NC=CC=C2C)=N1 | 5 |
ClC1=NC2=CC=C(C=C2C(=C1CC1CCOCC1)Cl)I>C1(=CC=CC=C1)C.C[O-].[Na+]>ClC1=C(C(=NC2=CC=C(C=C12)I)OC)CC1CCOCC1 | 3 |
[S:1]([NH:11][C@H:12]([C:20](O)=[O:21])[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2].CN1CCOCC1.Cl.Cl.[NH:32]1[C:36]2([CH2:41][CH2:40][NH:39][CH2:38][CH2:37]2)[CH2:35][NH:34]/[C:33]/1=[N:42]\[C:43]([C:45]1[C:50]([NH2:51])=[N:49][C:48]([NH2:52])=[C:47]([Cl:53])[N:46]=1)=[O:44].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C.O>[C:14]1([CH2:13][C@H:12]([NH:11][S:1]([C:4]2[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=2)(=[O:2])=[O:3])[C:20]([N:39]2[CH2:40][CH2:41][C:36]3([NH:32]/[C:33](=[N:42]/[C:43]([C:45]4[C:50]([NH2:51])=[N:49][C:48]([NH2:52])=[C:47]([Cl:53])[N:46]=4)=[O:44])/[NH:34][CH2:35]3)[CH2:37][CH2:38]2)=[O:21])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
CC=1OC(=C(N1)C)C(=O)OCC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC=1OC(=C(N1)C)CO | 3 |
NC1=NN=NN1.BrC1=CC(=CC=2C(=CSC21)C([C@H](CCC)C2=CC=C(C(=O)O)C=C2)C2=CC=C(C=C2)Cl)C>>BrC1=CC(=CC=2C(=CSC21)C([C@H](CCC)C2=CC=C(C(=O)NC1=NN=NN1)C=C2)C2=CC=C(C=C2)Cl)C | 5 |
[CH:1]1([C:4]2[CH:9]=[C:8]([C:10](OCC)=[O:11])[CH:7]=[C:6]([O:15][CH2:16][O:17][CH3:18])[C:5]=2[C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[CH2:3][CH2:2]1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.[OH-].[Na+]>C1COCC1>[CH:1]1([C:4]2[CH:9]=[C:8]([CH2:10][OH:11])[CH:7]=[C:6]([O:15][CH2:16][O:17][CH3:18])[C:5]=2[C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[CH2:3][CH2:2]1 | 2 |
FC(C1=CC=C(C=C1)B(O)O)(F)F.CN1N=C(C=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br>>CN1N=C(C=C1C1=CC=C(C=C1)C(F)(F)F)Br | 5 |
[Cl:1][C:2]1[C:3]([C:34]2[CH:39]=[CH:38][C:37]([O:40][CH3:41])=[CH:36][CH:35]=2)=[C:4]2[C:18]3[CH2:19][CH2:20][C@H:21]([C:23]([NH:25][C@@H](C4C=CC=CC=4)C)=[O:24])[CH2:22][C:17]=3[S:16][C:5]2=[N:6][C:7]=1[CH2:8][N:9]1[C:13](=[O:14])[CH2:12][O:11][C:10]1=[O:15].C1(OC)C=CC=CC=1.CS(O)(=O)=O.C(OCC)(=O)C>O>[Cl:1][C:2]1[C:3]([C:34]2[CH:39]=[CH:38][C:37]([O:40][CH3:41])=[CH:36][CH:35]=2)=[C:4]2[C:18]3[CH2:19][CH2:20][C@H:21]([C:23]([NH2:25])=[O:24])[CH2:22][C:17]=3[S:16][C:5]2=[N:6][C:7]=1[CH2:8][N:9]1[C:13](=[O:14])[CH2:12][O:11][C:10]1=[O:15] | 2 |
[F:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:10]=[CH:11][C:12](=[O:27])[N:13]([CH2:15][C:16]3[CH:21]=[CH:20][CH:19]=[C:18]([C:22]4[O:23][CH:24]=[CH:25][N:26]=4)[CH:17]=3)[N:14]=2)[CH:5]=[C:6]([F:8])[CH:7]=1.[Br:28]N1C(=O)CCC1=O.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>ClC1C=CC=CC=1>[Br:28][C:24]1[O:23][C:22]([C:18]2[CH:17]=[C:16]([CH:21]=[CH:20][CH:19]=2)[CH2:15][N:13]2[C:12](=[O:27])[CH:11]=[CH:10][C:9]([C:4]3[CH:3]=[C:2]([F:1])[CH:7]=[C:6]([F:8])[CH:5]=3)=[N:14]2)=[N:26][CH:25]=1 | 1 |
ClC1=C(C=C(C=C1)N=C=O)C(F)(F)F.C(C)(=O)O[BH3-].[Na+].COC=1C=C(C=CC1OC)[C@@]12CCN([C@H]2C[C@@H](CC1)N)C>>Cl.ClC1=C(C=C(C=C1)NC(N(C(C)C)[C@@H]1CC[C@]2(CCN([C@H]2C1)C)C1=CC(=C(C=C1)OC)OC)=O)C(F)(F)F | 5 |
C(C)(=O)OC1=CC(=CC=C1)C(=O)Cl.CSC=1N=C(SC1)N>C1CCCO1.CCN(CC)CC>C(C)(=O)OC1=CC(=CC=C1)C(NC=1SC=C(N1)SC)=O | 3 |
C(C)(=O)C1=NC=CC=C1>CO[H].[Na+].[BH4-].Cl.[OH-].[Na+].C(C)(=O)O>N1=C(C=CC=C1)C(C)O | 3 |
[CH2:1]([Mg]Br)[CH:2]([CH3:4])[CH3:3].C(OCC)C.CC(O[B:16]1[O:20][C@@H:19]2[CH2:21][C@@H:22]3[CH2:25][C@H:24]([C@:18]2([CH3:28])[O:17]1)[C:23]3([CH3:27])[CH3:26])C.[Na+].[Cl-]>O1CCCC1.S(=O)(=O)(O)O.C(OC(C)C)(C)C>[CH3:3][CH:2]([CH3:4])[CH2:1][B:16]1[O:20][C@@H:19]2[CH2:21][C@@H:22]3[CH2:25][C@H:24]([C@:18]2([CH3:28])[O:17]1)[C:23]3([CH3:27])[CH3:26] | 1 |
[N:1]1([NH:7][C:8]([C:10]2[N:11]=[C:12]([C:24]3[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][C:25]=3[Cl:31])[N:13]([C:17]3[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=3)[C:14]=2[CH2:15][OH:16])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[CH2:39]([S:42](Cl)(=[O:44])=[O:43])[CH2:40][CH3:41]>ClCCl>[Cl:31][C:25]1[CH:26]=[C:27]([Cl:30])[CH:28]=[CH:29][C:24]=1[C:12]1[N:13]([C:17]2[CH:18]=[CH:19][C:20]([O:23][S:42]([CH2:39][CH2:40][CH3:41])(=[O:44])=[O:43])=[CH:21][CH:22]=2)[C:14]([CH2:15][OH:16])=[C:10]([C:8](=[O:9])[NH:7][N:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[N:11]=1 | 2 |
CS(=O)(=O)C1=NC=CC(=N1)COC1OCCCC1>>CS(=O)(=O)C1=NC=CC(=N1)CO | 5 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH2:6][C:7]#[N:8].Br[CH2:10][CH2:11]Cl>[Cl-].C([N+](CC)(CC)CC1C=CC=CC=1)C>[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1([C:7]#[N:8])[CH2:11][CH2:10]1 | 2 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][C:15]=1[C:16](=[O:18])[CH3:17])[C:12]1[N:8]([CH:9]=[C:10]([C:19]3[N:23]([CH:24]([CH3:26])[CH3:25])[N:22]=[C:21]([CH3:27])[N:20]=3)[N:11]=1)[CH2:7][CH2:6][O:5]2.[BH4-].[Na+].O>CO>[CH3:1][C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][C:15]=1[CH:16]([OH:18])[CH3:17])[C:12]1[N:8]([CH:9]=[C:10]([C:19]3[N:23]([CH:24]([CH3:26])[CH3:25])[N:22]=[C:21]([CH3:27])[N:20]=3)[N:11]=1)[CH2:7][CH2:6][O:5]2 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.