smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC1(OB(OC1(C)C)C1=CC(=CC2=CC=CC=C12)O)C.F[C@@H]1C[C@@]2(CCCN2C1)COC1=NC2=C(C(=C(C=C2C(=N1)N1CC2CCC(C1)N2C(=O)OC(C)(C)C)Cl)Br)F>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1C=C2C(=NC(=NC2=C(C... | 3 |
IC1COC2(C1(C)C)CN(CC2)C(=O)OC(C)(C)C>>CC1(CCOC12CN(CC2)C(=O)OC(C)(C)C)C | 5 |
C1[C@@H](C)O1.C(C)(C)(C)N1N=NC(=C1)C(=O)N[C@H]1C2=C(CNCC1)C=C(C=C2)C2=NC(=NC=C2)NC=2C=NN(C2)C>CCO[H]>C(C)(C)(C)N1N=NC(=C1)C(=O)N[C@H]1C2=C(CN(CC1)C[C@@H](C)O)C=C(C=C2)C2=NC(=NC=C2)NC=2C=NN(C2)C | 3 |
ClC1C=C(C=CC=1Cl)O[CH:6]1[CH2:11][CH2:10][N:9]([S:12]([C:15]2[C:16]([CH3:22])=[N:17][N:18](C)[C:19]=2[CH3:20])(=[O:14])=[O:13])[CH2:8][CH2:7]1.ClC1C=C(C=CC=1Cl)NCC1CCN(S(C2C(C)=NN(C)C=2C)(=O)=O)CC1.Cl.[Cl:55][C:56]1[CH:61]=[CH:60][C:59]([CH:62]([F:69])C2CCNCC2)=[CH:58][CH:57]=1>>[Cl:55][C:56]1[CH:61]=[CH:60][C:59]([CH:... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:10]2[CH:11]=[CH:12][C:13](=[O:16])[NH:14][N:15]=2)[CH:5]=[C:6]([Cl:9])[C:7]=1[CH3:8].C1N2CCN(CC2)C1.[O:25]1[CH2:30][CH2:29][N:28]([C:31](Cl)=[O:32])[CH2:27][CH2:26]1>C(#N)C>[Cl:1][C:2]1[CH:3]=[C:4]([C:10]2[N:15]=[N:14][C:13]([O:16][C:31]([N:28]3[CH2:29][CH2:30][O:25][CH2:26][CH2:27]3)=[O:32]... | 1 |
C([O:8][CH2:9][CH2:10][CH2:11][C:12]1[N:20]([CH3:21])[C:15]2=[N:16][CH:17]=[CH:18][CH:19]=[C:14]2[N:13]=1)C1C=CC=CC=1.C(O)=O>CO.[OH-].[OH-].[Pd+2]>[CH3:21][N:20]1[C:15]2=[N:16][CH:17]=[CH:18][CH:19]=[C:14]2[N:13]=[C:12]1[CH2:11][CH2:10][CH2:9][OH:8] | 1 |
C(N(CC)CC)C.[C:8](Cl)(=[O:12])[CH:9]([CH3:11])[CH3:10].[NH2:14][C:15]([CH3:36])([CH3:35])[CH2:16][N:17]1[C:29]2[C:28]3[N:27]=[CH:26][CH:25]=[CH:24][C:23]=3[N:22]=[C:21]([NH2:30])[C:20]=2[N:19]=[C:18]1[CH2:31][O:32][CH2:33][CH3:34]>ClCCl>[NH2:30][C:21]1[C:20]2[N:19]=[C:18]([CH2:31][O:32][CH2:33][CH3:34])[N:17]([CH2:16][... | 1 |
O=CCCC1CCN(C(OC(C)(C)C)=O)CC1.[C:18](/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH:24]1[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]1)#[N:19]>>[C:18](/[CH:20]=[CH:21]/[CH2:22][CH2:23][CH:24]1[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][... | 2 |
S(Cl)([Cl:3])=O.O[CH2:6][C:7]1[CH:8]=[C:9]2[C:13](=[CH:14][CH:15]=1)[N:12]([C:16]1[CH:21]=[C:20]([I:22])[CH:19]=[CH:18][N:17]=1)[N:11]=[C:10]2[C:23]([NH2:25])=[O:24]>ClCCl>[Cl:3][CH2:6][C:7]1[CH:8]=[C:9]2[C:13](=[CH:14][CH:15]=1)[N:12]([C:16]1[CH:21]=[C:20]([I:22])[CH:19]=[CH:18][N:17]=1)[N:11]=[C:10]2[C:23]([NH2:25])=... | 2 |
C(CCCCCCC)C1=CC=C(C(=O)OC)C=C1>C1(=CC=CC=C1)C.[H-].COCCO[Al+]OCCOC.[Na+].[H-]>C(CCCCCCC)C1=CC=C(C=C1)CO | 3 |
NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O>>FC(C(C(F)(F)F)(O)C1=CC=C(C=C1)I)(F)F | 5 |
N1(CCCCC1)C1=C(N)C=CC=C1.C(#N)C1=CC=C(N1)C(=O)O>ClCCl.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(C)OC(=O)C=1NC(=CC1)C=O | 3 |
FC1=CC=C(CN)C=C1.BrC=1C=CC(=NC1)[N+](=O)[O-]>O.CS(=O)C.C(C)(C)N(C(C)C)CC>FC1=CC=C(CNC=2C=NC(=CC2)[N+](=O)[O-])C=C1 | 3 |
NC1=CC=C(C2=CC=CC=C12)C=1C=CC(=NC1)CN1CCOCC1.ClC(COC(=O)NC1=CC(=NN1C1=CC=C(C=C1)C)C(C)(C)C)(Cl)Cl>CS(=O)C.C(C)(C)N(C(C)C)CC>C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=CC=C(C2=CC=CC=C12)C=1C=NC(=CC1)CN1CCOCC1)C1=CC=C(C=C1)C | 3 |
C(C1=CC=CC=C1)N1N=CC(=C1)C=1C(=C(C=C(C1)CCC)C1=CC=C(C=C1)OC)I>>C(C1=CC=CC=C1)N1N=CC(=C1)C1=C(C(=CC(=C1)CCC)C1=CC=C(C=C1)OC)C1=CC=CC=C1 | 5 |
Cl.CONC.C(CCC)C=1C=CC(=NC1)C(=O)O>>CON(C(=O)C1=NC=C(C=C1)CCCC)C | 5 |
FC(CO)(C(F)(F)F)F.ClC1=NC=C(C(=O)OC)C=C1>[H-].[Na+].CN(C(C)=O)C>FC(COC1=NC=C(C(=O)OC)C=C1)(C(F)(F)F)F | 3 |
ClC=1C=C2C(=CNC2=CC1)C[C@H](C)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O.[OH-].[Na+]>ClC=1C=C2C(=CNC2=CC1)C[C@H](C)N | 3 |
C[O:2][C:3](=[O:32])[CH2:4][O:5][C:6]1[CH:14]=[C:13]2[CH2:15][CH2:16][CH2:17][C:12]2=[C:11]2[C:7]=1[C:8]([C:27](=[O:31])[C:28]([NH2:30])=[O:29])=[C:9]([CH3:26])[N:10]2[CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[Br:25].[OH-].[Li+].Cl>CO.O>[NH2:30][C:28](=[O:29])[C:27]([C:8]1[C:7]2[C:11](=[C:12]3[CH2:17][CH2:16... | 1 |
[CH3:1][N:2]1[C:6]2[CH:7]=[CH:8][C:9]([C:11](O)=[O:12])=[CH:10][C:5]=2[N:4]=[C:3]1[NH:14][C:15]1[S:16][C:17]2[CH:23]=[C:22]([O:24][C:25]([F:28])([F:27])[F:26])[CH:21]=[CH:20][C:18]=2[N:19]=1.[NH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][OH:35].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>>[... | 1 |
FC(C(CC(=C)C)N1C(C=2C(C1=O)=CC=CC2)=O)F>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>FC(C(CC(CBr)=C)N1C(C=2C(C1=O)=CC=CC2)=O)F | 3 |
[NH2:1][C:2]1[C:32]([C:33]([F:36])([F:35])[F:34])=[CH:31][C:5]([CH2:6][CH:7]([CH2:10][C:11](=[O:30])[N:12]2[CH2:17][CH2:16][CH:15]([N:18]3[CH2:24][CH2:23][C:22]4[CH:25]=[CH:26][CH:27]=[CH:28][C:21]=4[NH:20][C:19]3=[O:29])[CH2:14][CH2:13]2)[CH:8]=O)=[CH:4][C:3]=1[Cl:37].Cl.Cl.Cl.[CH3:41][N:42]([CH3:56])[CH2:43][C:44]([C... | 1 |
C1(=CC=CC=C1)CCCN.C(C1=CC=CC=C1)OC1=C(C(=NC2=CC=CC=C12)CCC(=O)O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>C(C1=CC=CC=C1)OC1=C(C(=NC2=CC=CC=C12)CCC(=O)NCCCC1=CC=CC=C1)C | 3 |
CC1N=C(NC2C=NC=CN=2)SC=1C1C=CN=CC=1.[N:20]1([C:26]2[CH:31]=[C:30]([CH2:32][C:33](=O)[CH3:34])[CH:29]=[CH:28][N:27]=2)[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1.N1C=CN=CC=1NC(N)=S.[C:46]([NH:49][C:50]([NH2:52])=[S:51])(=[O:48])[CH3:47]>>[CH3:34][C:33]1[N:52]=[C:50]([NH:49][C:46](=[O:48])[CH3:47])[S:51][C:32]=1[C:30]1[CH:29... | 2 |
NC=1C=C(C(=O)N)C=CC1.ClC=1N=C(C2=C(N1)N(C=C2)S(=O)(=O)C2=CC=C(C=C2)C)Cl>>ClC=1N=C(C2=C(N1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2)NC=2C=C(C(=O)N)C=CC2 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([Mg]Br)=[CH:4][CH:3]=1.[CH3:10][C:11]([CH3:15])=[CH:12][CH:13]=[O:14].O>O1CCCC1.[Cu]Br>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:11]([CH3:15])([CH3:10])[CH2:12][CH:13]=[O:14])=[CH:4][CH:3]=1 | 1 |
C(C)(=O)OC12C(N(C3=CC=C(C=C13)O)C(C)=O)N(CC2)C(C)=O>C1CCCO1.CN1CCOCC1.ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>C(C)(=O)OC12C(N(C3=CC=C(C=C13)OC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(C)=O)N(CC2)C(C)=O | 3 |
C(C)(=S)O.C(C(C)(C)C)OC(N(C)C)OCC(C)(C)C.C(C)OC(=O)CN1C(=NC=C1)\C=C\1/CN(CCC1O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C1(=CC=CC=C1)C>C(C)(=O)SC(C1=CCCN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C=1N(C=CN1)CC(=O)OCC | 3 |
OC1(CCN(CC1)C(=O)OCC)C[N+](=O)[O-]>>NCC1(CCN(CC1)C(=O)OCC)O | 5 |
ClC1=C(C(=O)OC(C)(C)C)C=CC(=N1)Cl.C(C)(C)(C)[Si](OC(CCOC1=NNC=C1)C1(CC1)C(F)(F)F)(C)C>ClCCl.C([O-])([O-])=O.[K+].[K+].CS(=O)C.N12CCN(CC1)CC2>[Si](C)(C)(C(C)(C)C)OC(CCOC1=NN(C=C1)C1=CC=C(C(=N1)Cl)C(=O)OC(C)(C)C)C1(CC1)C(F)(F)F | 3 |
C(C1=CC=CC=C1)OC=1C=C(C(=O)O)C=C(C1OCC1=CC=CC=C1)OCC1=CC=CC=C1.C(C1=CC=CC=C1)OC=1C=C(C=C(C1OCC1=CC=CC=C1)OCC1=CC=CC=C1)C1OC2=CC=CC=C2CC1O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.CCN=C=NCCCN(C)C>C(C1=CC=CC=C1)OC=1C=C(C(=O)OC2C(OC3=CC=CC=C3C2)C2=CC(=C(C(=C2)OCC2=CC=CC=C2)OCC2=CC=CC=C2)OCC2=CC=CC=C2)C=C(C1OCC1=CC=CC=C1)OCC1=CC... | 3 |
[H-].C([Al+]CC(C)C)C(C)C.COCN[C:15]([CH:17]1[CH2:20][CH:19]([CH2:21][CH:22]([CH3:24])[CH3:23])[CH2:18]1)=[O:16].S(=O)(=O)(O)O>C(Cl)Cl>[CH2:21]([CH:19]1[CH2:20][CH:17]([CH:15]=[O:16])[CH2:18]1)[CH:22]([CH3:24])[CH3:23] | 2 |
S1C=NC=C1C(C)=NO>CO[H].[Zn].C(C)(=O)O>S1C=NC=C1C(C)N | 3 |
BrCC(=O)OCC.CC=1NC=2CC(CC(C2C1CC=1C(=NC=CC1)S(=O)(=O)C1=CC=CC=C1)=O)(C)C>>CC=1N(C=2CC(CC(C2C1CC=1C(=NC=CC1)S(=O)(=O)C1=CC=CC=C1)=O)(C)C)CC(=O)OCC | 5 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([O:8][C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[O:15][CH:14]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH2:13][CH2:12]3)=[N:6][CH:7]=1.[C:25]([O:29][C:30]([N:32]1[CH2:40][CH2:39][CH:35]([C:36](O)=[O:37])[CH2:34][CH2:33]1)=[O:31])([CH3:28])([CH3:27])[CH3:26].Cl.CN(C)CCCN=C=NCC>C... | 1 |
COCOC=1C=C(C2=CC=CC=C2C1)B1OC(C(O1)(C)C)(C)C.ClC1=C(C=2N=C(N=C(C2C=2N1CCN2)N2C[C@H]1CC[C@@H](C2)N1C(=O)OC(C)(C)C)OC[C@]12CCCN2C[C@@H](C1)F)F>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C... | 3 |
C(O[C:9](=[O:32])[C@H:10]([NH:24][C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH2:11][C:12]1[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[N:14]([CH2:21][CH2:22][CH3:23])[CH:13]=1)C1C=CC=CC=1.CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.[CH2:55]([O:62][NH2:63])[C:56]1[CH:61]=[CH:60][CH:59]=[CH:58][CH:57]=1>COCC... | 2 |
C(C)OC(OCC)OCC.NC1=C(CNC2C(NC(C2)=O)=O)C(=CC=C1)S(=O)(=O)CC>>C(C)S(=O)(=O)C1=C2CN(C=NC2=CC=C1)C1C(NC(C1)=O)=O | 5 |
Br[C:2]1([CH2:10][C:11]([O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:16])[CH3:15])=[O:12])[C:6](=[O:7])[O:5][C:4]([CH3:9])([CH3:8])[O:3]1.CCCCCCC=CCCC>C(Cl)(Cl)(Cl)Cl.O1CCCC1>[CH3:8][C:4]1([CH3:9])[O:5][C:6](=[O:7])/[C:2](=[CH:10]/[C:11]([O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:15])[CH3:16])=[O:... | 2 |
[Br-].O1C(=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(C1=CC=CC=C1)OC1=C(C=O)C=C(C=C1)OC1=C2CCCC2=C(C=C1C)[N+](=O)[O-]>CC(C)(C)[O-].[K+].C1CCCO1>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)OC1=C2CCCC2=C(C=C1C)[N+](=O)[O-])C=CC1=COC=C1 | 3 |
[Cl:1][C:2]1[N:11]=[CH:10][C:9]2[NH:8][CH2:7][C@@H:6]3[CH2:12][O:13][CH2:14][CH2:15][N:5]3[C:4]=2[N:3]=1.[C:16]([O:19][C:20]([CH3:26])([CH2:22][CH2:23][CH:24]=O)[CH3:21])(=[O:18])[CH3:17].C(Cl)Cl.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>[Ti](Cl)(Cl)(Cl)Cl>[C:16]([O:19][C:20]([CH3:26])([CH2:22][CH2:23][CH2:24][N:8]1[CH2:7][... | 1 |
O=[C:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])[CH2:4][CH2:3]1.[C:15]([BH3-])#[N:16].[Na+].[C:19](O)(=O)[CH3:20].Cl>C(O)C>[CH2:15]([NH:16][CH:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])[CH2:4][CH2:3]1)[C:20]1[CH:19]=[CH:4][CH:3]=[CH:2][CH:7]=1 | 1 |
[NH2:1][C:2]1[C:7]([Cl:8])=[C:6]([O:9][CH3:10])[CH:5]=[CH:4][C:3]=1[C:11]([CH3:13])=[O:12].[CH:14]([C:17]1[N:18]=[C:19]([C:22](NC2C(C)=C(OC)C=CC=2C(=O)C)=[O:23])[S:20][CH:21]=1)([CH3:16])[CH3:15]>>[CH:14]([C:17]1[N:18]=[C:19]([C:22]([NH:1][C:2]2[C:7]([Cl:8])=[C:6]([O:9][CH3:10])[CH:5]=[CH:4][C:3]=2[C:11](=[O:12])[CH3:1... | 1 |
Cl.ClCCN1CCCCC1.COC=1C=CC(=C(OC2=CC=C(C=C2)O)C1)CCC1=CC=C(C=C1)OC.COC=1C=CC(=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C1)CCC1=CC=C(C=C1)OC>>OC1=CC=C(C=C1)CCC1=C(C=C(C=C1)O)OC1=CC=C(C=C1)OCCN1CCCCC1 | 5 |
C(CCC)B1O[C@H]2[C@@H]([C@H]([C@@H](O1)C2)C\C=C/CCCC(=O)OC(C)C)CC[C@H](CCC2=CC=CC=C2)O.C(OCC(CC#C)CC#C)(=O)Cl>>O[C@H]1[C@@H]([C@H]([C@H](C1)O)C\C=C/CCCC(=O)OC(C)C)CC[C@H](CCC1=CC=CC=C1)OC(=O)OCC(CC#C)CC#C | 5 |
C(#N)CC(=O)N.C1(CC1)C(=O)C1C(CC(OC1)(C)C)=O>>C1(CC1)C1=NC(=C(C2=C1COC(C2)(C)C)C#N)O | 5 |
OC1=C2C=CNC2=CC=C1.C(=O)(OC(C)(C)C)N1[C@@H](CO)CCC1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>N1C=CC2=C(C=CC=C12)OC[C@@H]1N(CCC1)C(=O)OC(C)(C)C | 3 |
C(C1=CC=CC=C1)OC1=CC(NC=C1)=O.BrC1=CC2=C(C=C1)C1=C(CCN(CC1)C(=O)OC(C)(C)C)O2>[Cu]I.C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+].CN[C@H]1[C@@H](CCCC1)NC>C(C1=CC=CC=C1)OC1=CC(N(C=C1)C1=CC2=C(C=C1)C1=C(CCN(CC1)C(=O)OC(C)(C)C)O2)=O | 3 |
[Na+].[I-].C([O-])([O-])=O.[K+].[K+].C([CH:13]1[CH2:18][CH2:17][CH2:16][NH:15][CH2:14]1)CCC.Cl[CH2:20][CH2:21][CH2:22][N:23]1[C:28]2[CH:29]=[CH:30][CH:31]=[CH:32][C:27]=2[O:26][CH2:25][C:24]1=[O:33]>C(#N)C.CO>[CH2:14]([CH:18]1[CH2:13][CH2:14][N:15]([CH2:20][CH2:21][CH2:22][N:23]2[C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][C:... | 1 |
ClC(C(=O)Cl)C.C(C1=CC=CC=C1)NC(CO)(C)C>CCN(CC)CC.C(C)(C)O>C(C1=CC=CC=C1)N(C(C(C)Cl)=O)C(CO)(C)C | 3 |
[F:1][C:2]1[CH:9]=[CH:8][C:7]([O:10][CH3:11])=[CH:6][C:3]=1[CH:4]=[O:5].O[CH2:13][CH2:14][C:15]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[NH:17][CH:16]=1.FC(F)(F)C(O)=O>ClCCl>[F:1][C:2]1[CH:9]=[CH:8][C:7]([O:10][CH3:11])=[CH:6][C:3]=1[CH:4]1[C:16]2[NH:17][C:18]3[C:23]([C:15]=2[CH2:14][CH2:13][O:5]1)=[CH:22][CH:21... | 2 |
[N+](=O)([O-])C=1C=C(C=NC1)C=1N=C(SC1)NC1=CC(=CC=C1)C(F)(F)F>N(C)(C)C=O.O.[Zn].[Cl-].[NH4+]>FC(C=1C=C(NC=2SC=C(N2)C=2C=C(C=NC2)NNC=2C=C(C=NC2)C=2N=C(SC2)NC2=CC(=CC=C2)C(F)(F)F)C=CC1)(F)F | 3 |
O1CCN(CC1)CCOC1=CC=2N(C=C1)C(=CN2)C(=O)OCC>O.C1CCCO1.O[Li].O>O1CCN(CC1)CCOC1=CC=2N(C=C1)C(=CN2)C(=O)[O-].[Li+] | 3 |
FC1=CC=C(CCl)C=C1.C(C)(C)(C)OC(C(=O)OC)C1=C(C2=C(C(N1C)=O)NC=C2)C2=CC=C(C=C2)Cl>>C(C)(C)(C)OC(C(=O)OC)C1=C(C2=C(C(N1C)=O)N(C=C2)CC2=CC=C(C=C2)F)C2=CC=C(C=C2)Cl | 5 |
C(C)N.C(C)(C)(C)C1=CC=C(C(=O)Cl)C=C1>>C(C)(C)(C)C1=CC=C(C(=O)NCC)C=C1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]([CH3:29])[C:9]([C:11]1[S:28][C:14]2[C:15]3[CH:23]=[CH:22][C:21]([C:24](OC)=[O:25])=[CH:20][C:16]=3[O:17][CH2:18][CH2:19][C:13]=2[CH:12]=1)=[O:10].[NH2:30][CH2:31][C@@H:32]([OH:34])[CH3:33]>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]([CH3:29])[C:9]([C:11]1[S:28]... | 1 |
[CH2:1]([N:5](C(OC(C)(C)C)=O)[CH2:6][CH2:7][CH2:8][N:9](C(OC(C)(C)C)=O)[CH2:10]/[CH:11]=[CH:12]/[CH2:13][N:14](C(OC(C)(C)C)=O)[CH2:15][CH2:16][CH2:17][N:18]([CH2:26][CH3:27])C(OC(C)(C)C)=O)[CH2:2][CH2:3][CH3:4].[ClH:49]>C(OCC)C>[ClH:49].[ClH:49].[ClH:49].[ClH:49].[CH2:1]([NH:5][CH2:6][CH2:7][CH2:8][NH:9][CH2:10]/[CH:11... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([NH:11][C:12]2[N:13]=[C:14]([C:28]([OH:30])=[O:29])[N:15]([CH2:17][C:18]3[CH:23]=[CH:22][C:21]([C:24]([F:27])([F:26])[F:25])=[CH:20][CH:19]=3)[CH:16]=2)=[O:10])=[C:4]([CH3:31])[CH:3]=1.C1N=CN(C(N2C=NC=C2)=O)C=1.[CH2:44](O)[CH2:45][OH:46].C(N(CC)CC)C>CN(C=O)C>[Cl:1][C:2]1[CH:7]... | 1 |
[OH:1][C:2]1[CH:9]=[C:8]([O:10][CH2:11][CH3:12])[CH:7]=[CH:6][C:3]=1[CH:4]=O.[C:13]1([C:19]2[N:23]=[C:22]([CH2:24][C:25](O)=[O:26])[O:21][N:20]=2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.N1CCCCC1>C(O)C>[CH2:11]([O:10][C:8]1[CH:9]=[C:2]2[C:3]([CH:4]=[C:24]([C:22]3[O:21][N:20]=[C:19]([C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][... | 1 |
Cl.[O:2]1[C:6]2[CH2:7][NH:8][CH2:9][CH2:10][C:5]=2[CH:4]=[CH:3]1.[CH3:11][O:12][C:13]1[CH:29]=[CH:28][CH:27]=[CH:26][C:14]=1[C:15]([C:17]1[CH:25]=[CH:24][C:20]([C:21](O)=[O:22])=[CH:19][CH:18]=1)=[O:16].C(N(CC)CC)C.C(P(=O)(OCC)OCC)#N>ClCCl.O>[CH3:11][O:12][C:13]1[CH:29]=[CH:28][CH:27]=[CH:26][C:14]=1[C:15]([C:17]1[CH:2... | 1 |
[Br:1][C:2]1[C:3]([F:11])=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([NH2:7])=O.S(C)C>C1COCC1>[Br:1][C:2]1[C:3]([F:11])=[C:4]([CH2:5][NH2:7])[CH:8]=[CH:9][CH:10]=1 | 1 |
FC1=C(CN)C(=CC=C1)F.BrC=1C=2N(N=C(C1)Cl)C(=CN2)C(C)C>O.CCO[H].C(C)(C)N(C(C)C)CC>ClC=1C=C(C=2N(N1)C(=CN2)C(C)C)NCC2=C(C=CC=C2F)F | 3 |
C1(N=C=NC2CCCCC2)CCCCC1.[CH3:16][O:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][CH:27]=1)[CH:24]=[C:23]([C@H:28]([CH3:32])[C:29]([OH:31])=[O:30])[CH:22]=[CH:21]2.[OH:33][CH2:34][C:35]([CH2:37]O)=[O:36]>CC(C)=O>[CH3:16][O:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][CH:27]=1)[CH:24]=[C:23]([C@H:28]([CH3:32])[C:29]([O:31][CH2:37... | 1 |
C1(CC1)C1=CC(=NO1)C(=O)OC>O.[Na+].[BH4-].CCO[H]>C1(CC1)C1=CC(=NO1)CO | 3 |
CI.O=C1NN=C(O1)CC(NC(F)(F)F)C1=CC(=C(C#N)C=C1)C(F)(F)F>>CN1N=C(OC1=O)CC(NC(F)(F)F)C1=CC(=C(C#N)C=C1)C(F)(F)F | 5 |
ClCC1=CC=C(C=C1)CC(F)(F)F>>CC1(OB(OC1(C)C)CC1=CC=C(C=C1)CC(F)(F)F)C | 5 |
NC1=CC(=C(C=C1OC1CCC1)N1C(C2=CC=C(C=C2CC1)CCC(=O)OC)C)F>C1CCCO1.N(=O)OCCC(C)C>C1(CCC1)OC=1C=CC(=C(C1)N1C(C2=CC=C(C=C2CC1)CCC(=O)OC)C)F | 3 |
FC1=C(CBr)C=CC=C1.COC=1C=C(CN(S(=O)(=O)C2=CC=C(C=C2)Cl)CC2=CC=C(C(=O)OC)C=C2)C=CC1.ClC1=CC=C(C=C1)S(=O)(=O)NCC1=CC(=C(C(=O)OC)C=C1)F>>ClC1=CC=C(C=C1)S(=O)(=O)N(CC1=C(C=CC=C1)F)CC1=CC(=C(C(=O)OC)C=C1)F | 5 |
[CH3:1][O:2][C:3]1[C:4]([CH2:9][CH2:10][CH2:11][CH2:12][NH2:13])=[N:5][CH:6]=[CH:7][CH:8]=1.[N+](N[C:18]1[NH:23][C:22](=[O:24])[C:21]([CH2:25][C:26]2[CH:31]=[C:30]([CH2:32][N:33]([CH3:35])[CH3:34])[CH:29]=[CH:28][N:27]=2)=[C:20]([CH3:36])[N:19]=1)([O-])=O>>[CH3:1][O:2][C:3]1[C:4]([CH2:9][CH2:10][CH2:11][CH2:12][NH:13][... | 1 |
C(C1=CC=CC=C1)OC1=C(C=CC(=C1)[N+](=O)[O-])OC>O.[Fe].CCO[H].[Cl-].[NH4+]>C(C1=CC=CC=C1)OC=1C=C(C=CC1OC)N | 3 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([C:12]([F:15])([F:14])[F:13])=[CH:9][CH:10]=2)[N:5]=[CH:4][CH:3]=1.[Cl-].[NH4+:17]>CO>[NH2:17][C:2]1[C:11]2[C:6](=[CH:7][C:8]([C:12]([F:15])([F:14])[F:13])=[CH:9][CH:10]=2)[N:5]=[CH:4][CH:3]=1 | 1 |
N(N)C(=O)OC(C)(C)C.ClC1=C(C=NC2=CC=CC=C12)[N+](=O)[O-]>ClCCl.CCN(CC)CC>[N+](=O)([O-])C=1C=NC2=CC=CC=C2C1NNC(=O)OC(C)(C)C | 3 |
Cl[C:2]1[N:7]=[CH:6][N:5]=[C:4]([NH2:8])[C:3]=1[NH2:9].CC(=O)C(=[O:14])C.[C:16]1(C)C=C[CH:19]=[CH:18][CH:17]=1>CO>[CH3:16][C:17]1[N:9]=[C:3]2[C:4](=[N:8][C:18]=1[CH3:19])[N:5]=[CH:6][N:7]=[C:2]2[OH:14] | 1 |
Cl.COC([C@@H](CNC(=O)OC(C)(C)C)N)=O.ClCCN(S(=O)(=O)C)CCCl>>C(C)(C)(C)OC(=O)NC[C@H](C(=O)OC)N1CCN(CC1)S(=O)(=O)C | 5 |
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([CH2:12][N:13]3[C:18](=[O:19])[CH2:17][N:16]([C:20](=[O:29])[CH2:21][O:22][C:23]4[S:24][C:25]([Cl:28])=[CH:26][CH:27]=4)[CH2:15][CH:14]3[C:30]([OH:32])=O)=[CH:9][CH:10]=2)[N:5]=[CH:4][N:3]=1.[CH3:33][N:34]1CCOCC1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN.Cl>CN(C=O)... | 1 |
Br[CH2:2][CH2:3][CH2:4][Cl:5].[OH:6][C:7]1[CH:8]=[C:9]2[CH:12]([C:13]([N:15]3[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]3)=[O:14])[CH2:11][C:10]2=[CH:21][CH:22]=1.[OH-].[K+]>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.C(Cl)Cl>[Cl:5][CH2:4][CH2:3][CH2:2][O:6][C:7]1[CH:8]=[C:9]2[CH:12]([C:13]([N:15]3[CH2:20][CH2:19][CH2:18][CH2:17][CH... | 1 |
[Br:1][C:2]1[C:3](CCNC[C@H]2CC[C@H](CCO)CC2)=[N:4][CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.[O:25]1[CH:30]=[CH:29][CH2:28][CH2:27][CH2:26]1.[C:31]1([CH3:41])[CH:36]=[CH:35][C:34](S([O-])(=O)=O)=[CH:33][CH:32]=1.[NH+:42]1[CH:47]=[CH:46]C=CC=1.[C:48](=[O:51])(O)[O-].[Na+].Cl[CH2:54]Cl>>[Br:1][C:2]1[C:3]([N:42]([CH... | 2 |
NC=1SC=CN1.N1=CC=CC2=CC(=CC=C12)C1(CC1)C1=CN=C2N1N=C(C=N2)C2=CC=C(C(=O)O)C=C2>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>N1=CC=CC2=CC(=CC=C12)C1(CC1)C1=CN=C2N1N=C(C=N2)C2=CC=C(C(=O)NC=1SC=CN1)C=C2 | 3 |
C(C)(C)(C)O.BrC1=NC=CC=C1C(=O)O>>C(C)(C)(C)OC(NC=1C(=NC=CC1)Br)=O | 5 |
CI.BrC1=CC(=C(C=C1)NS(=O)(=O)C)CC>>BrC1=CC(=C(C=C1)N(S(=O)(=O)C)C)CC | 5 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(N[C@H]([C@@H](C=1C=NC(=CC1)OC)O)COC(C)(C)C)=O>N(C)(C)C=O.N1CCCCC1>N[C@H]([C@H](O)C=1C=NC(=CC1)OC)COC(C)(C)C | 3 |
N1C=C(C2=CC=CC=C12)C(=O)O>C1CCCO1.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>N1C=C(C2=CC=CC=C12)C(=O)N=[N+]=[N-] | 3 |
NC=1C=NN(C1C(=O)OC)C>C(Cl)(Cl)(Cl)[H].BrN1C(CCC1=O)=O.[HH]>NC=1C(=NN(C1C(=O)OC)C)Br | 3 |
ClC1=C(C(=O)O)C(=CC(=C1)OC)Cl.ClC1=C(C(=O)O)C(=CC(=C1)Cl)OC>ClS(Cl)=O.c1ccncc1>ClC1=C(C(=O)OC)C(=CC(=C1)OC)Cl | 3 |
CN(C)CCCCCCCCCCCCCCCCCC.ClCC1=CC2=CC=CC=C2C=C1>>[Cl-].C[N+](CCCCCCCCCCCCCCCCCC)(CC1=CC2=CC=CC=C2C=C1)C | 5 |
C(C)OC1=NC=CC=C1B(O)O.ClC1=CC=C(C=N1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>C(C)OC1=NC=CC=C1C1=NC=C(C=C1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC | 3 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=1.[C:9]([O:13][C:14](=[O:23])[NH:15][CH:16]1C[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]1)([CH3:12])([CH3:11])[CH3:10]>>[C:9]([O:13][C:14]([N:15]1[CH2:16][CH2:17][CH2:18][N:19]([C:2]2[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=2)[CH2:20][CH2:21]1)=[O:23])([CH3:10])([CH3:11])[CH3:12... | 1 |
[Cl:1][C:2]1[CH:27]=[CH:26][CH:25]=[CH:24][C:3]=1[C:4]([NH:6][C:7](=[O:23])[NH:8][C:9]1[S:10][C:11]2[CH:17]=[C:16]([S:18]([CH:21]=[CH2:22])(=[O:20])=[O:19])[CH:15]=[CH:14][C:12]=2[N:13]=1)=[O:5].[CH3:28][NH:29][CH3:30]>C1COCC1>[Cl:1][C:2]1[CH:27]=[CH:26][CH:25]=[CH:24][C:3]=1[C:4]([NH:6][C:7](=[O:23])[NH:8][C:9]1[S:10]... | 2 |
S1C(=CC=C1)CC(=O)O.Cl.Cl.N(=NC(C)(C)C(N)=N)C(C)(C)C(N)=N.C(CCCCCCCCC=C)OCCOCCOCCO>CO[H].CCOC(=O)C.CCCCCC.CO>OCCOCCOCCOCCCCCCCCCCCSC(C)=O | 3 |
IC1=CC=CC=C1.[N+]1(=CC=CC=C1)[O-]>>C1(=CC=CC=C1)C1=[N+](C(=CC=C1)C1=CC=CC=C1)[O-] | 5 |
ClC1=CC=C(CN)C=C1.C(C)(C)C1=CC=C(C=O)C=C1>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC1=CC=C(CNCC2=CC=C(C=C2)C(C)C)C=C1 | 3 |
BrC=1C=C2C(=C(C=NC2=CC1)C=1C=NN(C1)CCO)Cl>>BrC=1C=C2C(=C(C=NC2=CC1)C=1C=NN(C1)CCO)OC | 5 |
NC=1C=C(C(=O)OC)C(=CN1)C>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>NC1=NC=C(C(=C1)CO)C | 3 |
[OH:1][CH2:2][CH2:3][N:4]1[CH2:9][CH2:8][N:7]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:6][CH2:5]1.[CH3:17][S:18](Cl)(=[O:20])=[O:19]>C(Cl)Cl.CCOC(C)=O>[CH3:17][S:18]([O:1][CH2:2][CH2:3][N:4]1[CH2:9][CH2:8][N:7]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:6][CH2:5]1)(=[O:20])=[O:19] | 2 |
[OH:1][C:2]1[CH:3]=[C:4]([C:8]2[CH2:12][CH:11]([C:13]3[S:14][CH:15]=[CH:16][CH:17]=3)NN=2)[CH:5]=[CH:6][CH:7]=1.[OH-].[Na+].Cl>O>[OH:1][C:2]1[CH:3]=[C:4]([CH:8]2[CH2:12][CH:11]2[C:13]2[S:14][CH:15]=[CH:16][CH:17]=2)[CH:5]=[CH:6][CH:7]=1 | 1 |
C(C=C)[Mg]Cl.NC[C@H]1OC([C@H]2[C@@H]1OC(O2)(C)C)=O>O.C1CCCO1.C(C)(=O)OCC.[Cl-].[NH4+]>C(C=C)C1(O[C@@H]([C@H]2OC(O[C@H]21)(C)C)CN)O | 3 |
[CH2:1]([N:8]1[C:13]2[CH:14]=[C:15]([Cl:18])[CH:16]=[CH:17][C:12]=2[O:11][CH:10]([C:19]([OH:21])=O)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[F:52][C:53]1[CH:67]=[CH:66][C:56]([CH2:57][C:58]2([C:64]#[N:65])[CH2:63][CH2:62][NH:61][CH2:60][CH2:59]2)=[CH:55][CH:... | 2 |
COC([C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)N)=O.O1C=C(C=C1)C1=CC=CC2=C1C(=C(O2)C(=O)O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>COC([C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)NC(=O)C=1OC2=C(C1C)C(=CC=C2)C2=COC=C2)=O | 3 |
O=C=[N:3]C1CC(C)(C)CC(C)(CN=C=O)C1.[C:17]([O:21][CH2:22][CH:23](O)C)(=[O:20])[CH:18]=[CH2:19].COC1C=CC(O)=CC=1.C([O-])(=O)CCCCCCCCCCC.C([O-])(=O)CCCCCCCCCCC.C([Sn+2]CCCC)CCC>O.C(C(C)=O)C>[C:17]([OH:21])(=[O:20])[CH:18]=[CH2:19].[NH2:3][C:17]([O:21][CH2:22][CH3:23])=[O:20] | 2 |
C(N)(=O)[C@@H]1C([C@@H](C1)NC(OCC1=CC=CC=C1)=O)(C)C>COC(N(C)C)OC>CN(C)\C=N\C(=O)[C@@H]1C([C@@H](C1)NC(OCC1=CC=CC=C1)=O)(C)C | 3 |
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