smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]([CH2:11][C@H:12]3[CH2:17][CH2:16][C@H:15]([CH3:18])[CH2:14][CH2:13]3)[CH:7]=[N:8]2)=[C:4]([C:19]2[CH:20]=[N:21][CH:22]=[C:23]([Cl:25])[CH:24]=2)[N:3]=1.CC1(C)CCCC(C)(C)N1[Mg]Cl.C1COCC1.C1(C)C=CC=CC=1.[Br:50]N1C(C)(C)C(=O)N(Br)C1=O>C1COCC1>[Br:50][C:7]1[N:6]([CH2:11][C@H:12]2[CH2:17]... | 2 |
N[C@H](C(=O)NOCC1=CC=CC=C1)CC1=CC=C(C=C1)C(F)(F)F>O.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1.CN1CCOCC1>C(C1=CC=CC=C1)ON1C(N[C@H](C1=O)CC1=CC=C(C=C1)C(F)(F)F)=O | 3 |
OC1=C(C=CC=C1)C=1OC2=C(C(N1)=O)C=CC=C2.Cl.N(N)CC(=O)OCC>>OC1=C(C=CC=C1)C1=NN(C(=N1)C1=C(C=CC=C1)O)CC(=O)OCC | 5 |
C(C)(C)(C)OC(=O)N1[C@@H](CN(CC1)CC(=O)N1CCC2=CC=C(C=C12)S(NC)(=O)=O)C>C(=O)(C(F)(F)F)O>CNS(=O)(=O)C1=CC=C2CCN(C2=C1)C(CN1C[C@H](NCC1)C)=O | 3 |
CC1=C(C=C(S1)C(=O)OC)C1=CC=NN1C>>CC1=C(C=C(S1)C(=O)O)C1=CC=NN1C | 5 |
[O:1]=[CH:2][C@@H:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])[OH:4].[OH2:13]>>[O:1]=[C:2]([OH:13])[C@@H:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])[OH:4] | 1 |
ClC1=CC=2N(C=C1C(=O)OC)C(=CN2)C2=CC=C(C=C2)NC(=O)OC>O.C1CCCO1.CO[H].Cl.O[Li].O>ClC1=CC=2N(C=C1C(=O)O)C(=CN2)C2=CC=C(C=C2)NC(=O)OC | 3 |
[CH:1]([O:4][C:5]1[N:10]=[C:9]([C:11]2[C:19]3[C:14](=[CH:15][CH:16]=[C:17]([C:20]4[N:24]=[C:23]([NH:25][CH:26]([CH3:28])[CH3:27])[O:22][N:21]=4)[CH:18]=3)[N:13](S(C3C=CC(C)=CC=3)(=O)=O)[CH:12]=2)[CH:8]=[N:7][CH:6]=1)([CH3:3])[CH3:2].[OH-].[Na+]>O1CCOCC1>[CH:1]([O:4][C:5]1[N:10]=[C:9]([C:11]2[C:19]3[C:14](=[CH:15][CH:16... | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[C:11]3[CH2:15][C:14]([CH3:17])([CH3:16])[O:13][C:12]=13)[C:9]([C:18]1[CH:19]=[CH:20][C:21](=[O:24])[NH:22][CH:23]=1)=[N:8][C:7]([CH3:26])([CH3:25])[CH2:6]2.[H-].[Na+].[Cl:29][CH2:30][C:31]([NH2:33])=[O:32].[OH-].[Na+].Cl.C(O)C>CN(C)C=O.C(O)C.O>[ClH:29].[O:24]=[C:21]1[CH:20]=[CH:1... | 2 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC1=CC=C(N=N1)N>O.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C(CCC)O.P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>NC1=CC=C(N=N1)C1=CCN(CC1)C(=O)OC(C... | 3 |
[NH2:1][CH2:2][CH2:3][CH2:4][NH:5]C(=O)OC(C)(C)C.C(N(CC)CC)C.[CH3:20][S:21]([Cl:24])(=[O:23])=[O:22].C(OCC)(=O)C>C1COCC1>[ClH:24].[NH2:1][CH2:2][CH2:3][CH2:4][NH:5][S:21]([CH3:20])(=[O:23])=[O:22] | 2 |
[CH2:1]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([N:15]([CH3:25])[S:16]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)(=[O:18])=[O:17])=[CH:11][C:10]=1[N+:26]([O-])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>CCOC(C)=O.[Pd]>[NH2:26][C:10]1[CH:11]=[C:12]([N:15]([CH3:25])[S:16]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)(=[... | 2 |
[N+](=O)([O-])C=1C(=NNC1)C(=O)O>S(O)(O)(=O)=O.CO[H].C(C)(=O)OCC>COC(=O)C1=NNC=C1[N+](=O)[O-] | 3 |
Cl.CNOC.C(C)C1=CC(=NN1C)C(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>C(C)C1=CC(=NN1C)C(=O)N(C)OC | 3 |
NCC1=CC=NC=2N1N=C(C2C#N)C2=CC=C(C=C2)OC2=CC=CC=C2>[Na+].[BH4-].CCO[H]>NCC1CCNC=2N1N=C(C2C#N)C2=CC=C(C=C2)OC2=CC=CC=C2 | 3 |
[OH:1][CH2:2][C:3]1[CH:4]=[C:5]2[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][C:6]2=[N:7][C:8]=1[CH3:9]>C(Cl)Cl.C(OCC)(=O)C.[O-2].[O-2].[Mn+4]>[CH3:9][C:8]1[N:7]=[C:6]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:5]2=[CH:4][C:3]=1[CH:2]=[O:1] | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]2[CH:9]=[N:10][N:11]([CH3:13])[CH:12]=2)[CH:5]=[CH:4][C:3]=1[C:14]1[S:18][C:17]([N:19]([CH3:30])[CH:20]2[CH2:25][C:24]([CH3:27])([CH3:26])[NH:23][C:22]([CH3:29])([CH3:28])[CH2:21]2)=[N:16][N:15]=1.CC(O)=[O:33].CC(OC(C)=O)=O>CO.CC([O-])=O.CC([O-])=O.[Pd+2]>[Cl:1][C:2]1[C:3]([C:14]2[S:18][C:... | 1 |
[C:1]12([NH2:11])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[NH:12]1[C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=2[N:14]=[C:13]1[CH:21]=O>>[C:1]12([NH:11][CH2:21][C:13]3[NH:14][C:15]4[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=4[N:12]=3)[CH2:8][CH:7]3[CH2:6][CH:5]([CH2:4][CH:3]([CH2:9]3)[CH2:2]1)[CH2... | 2 |
NC1=CC=C(C(=C1C1=CC(N2C(CC[C@@H]2C1)C(=O)OCC(=O)C1=C(C(=NC=C1)C(CO[Si](C)(C)C(C)(C)C)(F)F)F)=O)F)Cl>C1(=CC=CC=C1)C.C(C)(=O)O.C(C)(=O)[O-].[NH4+]>NC1=CC=C(C(=C1C1=CC(N2C(CC[C@@H]2C1)C=1NC(=CN1)C1=C(C(=NC=C1)C(CO[Si](C)(C)C(C)(C)C)(F)F)F)=O)F)Cl | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(CCCCCC)C1=C(NC(=C(C1=O)[N+](=O)[O-])C)C>>C(OC(C)(C)C)(OC1=C(C(=NC(=C1[N+](=O)[O-])C)C)CCCCCCC)=O | 5 |
COC(=O)C1=CC2=C(N=C(O2)C2=CC(=CC=C2)[N+](=O)[O-])C=C1>O.C1CCCO1.[OH-].[Li+]>[N+](=O)([O-])C=1C=C(C=CC1)C=1OC2=C(N1)C=CC(=C2)C(=O)O | 3 |
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=C(C=C(C=C1)OCCCC(=O)OCC)C>O.[OH-].[Na+].C(C)(C)O>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=C(C=C(C=C1)OCCCC(=O)O)C | 3 |
FC(C1=CC=C(C=C1)B(O)O)(F)F.IC1=CC=C(C(=O)OCCCC)C=C1>>FC(C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCCCC)(F)F | 5 |
C1(=CC=CC2=CC=CC=C12)N1CCCC1>N(C)(C)C=O.C(C)OCC.C(CCC)[Li].CCCCCC>N1(CCCC1)C=1C=CC=C2C=CC=C(C12)C=O | 3 |
C(C)(=O)N1C=C(C2=C1N=C(N=C2Cl)NC(C)=O)CCO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C>>C(C)(C)(C)[Si](OCCC1=CNC=2N=C(N=C(C21)Cl)NC(C)=O)(C2=CC=CC=C2)C2=CC=CC=C2 | 5 |
C[O:2][C:3](=[O:9])[CH2:4][CH2:5][CH2:6][CH2:7]Br.C(=O)([O-])[O-].[K+].[K+].[I-].[K+].[NH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1>C(#N)C.O>[N:18]1([CH2:7][CH2:6][CH2:5][CH2:4][C:3]([OH:2])=[O:9])[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1 | 1 |
ClC=1N=CC2=C(N1)SC=C2C2=CC=CC=C2>>BrC1=C(C2=C(N=C(N=C2)Cl)S1)C1=CC=CC=C1 | 5 |
C(CCCCCO)O.C(CCCCC)C(C(=O)Cl)CCCCCCCC>>C(CCCCC)C(C(=O)OCCCCCCO)CCCCCCCC | 5 |
C([O:5][C:6](=[O:26])[C:7]([S:10][C:11]1[S:12][CH:13]=[C:14]([CH2:16][CH2:17][O:18][C:19]2[CH:24]=[CH:23][C:22](Br)=[CH:21][N:20]=2)[N:15]=1)([CH3:9])[CH3:8])(C)(C)C.[F:27][C:28]([F:40])([F:39])[C:29]1[CH:34]=[CH:33][C:32](OB(O)O)=[CH:31][CH:30]=1.[ClH:41].C(OCC)(=O)C>>[ClH:41].[CH3:9][C:7]([S:10][C:11]1[S:12][CH:13]=[... | 1 |
[F:1][C:2]1[CH:3]=[N+:4]([O-:13])[C:5]2[CH:6]=[CH:7][C:8](=[O:12])[NH:9][C:10]=2[CH:11]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:20](I)[CH:21]=[CH2:22]>CN(C=O)C>[F:1][C:2]1[CH:3]=[N+:4]([O-:13])[C:5]2[CH:6]=[CH:7][C:8](=[O:12])[N:9]([CH2:22][CH:21]=[CH2:20])[C:10]=2[CH:11]=1 | 1 |
[Cu][C:2]#[N:3].Br[C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[CH:11]=[C:10]([OH:15])[CH:9]=[CH:8]2>CN1CCCC1=O.O.Cl.[Fe](Cl)(Cl)Cl>[C:2]([C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[CH:11]=[C:10]([OH:15])[CH:9]=[CH:8]2)#[N:3] | 1 |
OC1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.c1cnc[nH]1.II>IC1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
[OH:1][C@H:2]1[CH2:7][CH2:6][CH2:5][CH2:4][C@@H:3]1[NH:8][C:9]([C:11]1[C:15]2=[N:16][CH:17]=[CH:18][CH:19]=[C:14]2[NH:13][CH:12]=1)=[O:10].Cl[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([C:28]2[S:29][CH:30]=[CH:31][N:32]=2)=[CH:24][CH:23]=1>>[OH:1][C@H:2]1[CH2:7][CH2:6][CH2:5][CH2:4][C@@H:3]1[NH:8][C:9]([C:11]1[C:15]2=[N:16][C... | 2 |
[CH2:1]([O:3][C:4]([C:6]1[C:7]([OH:25])=[C:8]2[CH:16]=[CH:15][N:14]([CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[F:24])[C:9]2=[C:10]([C:12]#[N:13])[N:11]=1)=[O:5])[CH3:2].[C:26](OC(=O)C)(=[O:28])[CH3:27]>C(N(CC)CC)C>[CH2:1]([O:3][C:4]([C:6]1[C:7]([O:25][C:26](=[O:28])[CH3:27])=[C:8]2[CH:16]=[CH:15][N:14]([CH2:... | 1 |
BrC1=C(C=C(C=C1)I)F.CNS(=O)(=O)C1=C(C=CC=C1)B(O)O>>BrC1=C(C=C(C=C1)C=1C(=CC=CC1)S(=O)(=O)NC)F | 5 |
ICC(F)F.BrC1=CC=C2CCC(C(C2=C1)=O)CC1CCNCC1>>BrC1=CC=C2CCC(C(C2=C1)=O)CC1CCN(CC1)CC(F)F | 5 |
COC(C1=CC(=CC=C1)C1=CC=NC=C1)=O>>N1=CC=C(C=C1)C=1C=C(C(=O)O)C=CC1 | 5 |
C1(=CC=C(C=C1)S(=O)(=O)Cl)C>O.C1(=CC=NC=C1)N(C)C.c1ccncc1.OC(C)CC(C)C.C(C)(=O)OCC>CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)C | 3 |
Cl[C:2]1[C:11]2=[N:12][N:13](CC3C=CC(OC)=CC=3)[CH:14]=[C:10]2[C:9]2[CH:8]=[C:7]([O:24][CH3:25])[C:6]([O:26][CH3:27])=[CH:5][C:4]=2[N:3]=1.[CH3:28][O:29][C:30]1[CH:31]=[C:32]([CH:34]=[CH:35][C:36]=1[O:37][CH3:38])[NH2:33].Cl>CO.O1CCOCC1>[CH3:28][O:29][C:30]1[CH:31]=[C:32]([NH:33][C:2]2[C:11]3=[N:12][NH:13][CH:14]=[C:10]... | 2 |
ClCCC(=O)C1=CC=CC=C1>>C(C)(=O)OCCC(C1=CC=CC=C1)=O | 5 |
OCC=1C=C(C(=O)OC(C)(C)C)C=C(N1)C(NC)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(=O)C=1C=C(C(=O)OC(C)(C)C)C=C(N1)C(NC)=O | 3 |
BrC1=CC=C2CC3(C(C2=C1)=NS(=O)C(C)(C)C)CCC1(CC3)OCCO1>Cl.O1CCOCC1>BrC1=CC=C2CC3(C(C2=C1)=N)CCC(CC3)=O | 3 |
[CH3:1][C:2]([N+:15]([O-:17])=[O:16])([CH3:14])[CH2:3][C:4]1[N:8]2[CH:9]=[CH:10][C:11]([OH:13])=[CH:12][C:7]2=[N:6][CH:5]=1.Cl[CH2:19][C:20]([NH2:22])=[O:21].C(=O)([O-])[O-].[K+].[K+].[I-].[K+]>CC(=O)CC>[CH3:14][C:2]([N+:15]([O-:17])=[O:16])([CH3:1])[CH2:3][C:4]1[N:8]2[CH:9]=[CH:10][C:11]([O:13][CH2:19][C:20]([NH2:22])... | 1 |
C1(=CC=CC=C1)C(CCN)C1=CC=CC=C1.C(#N)CCOC(=O)C=1C(C(=C(NC1C)COCCCl)C(=O)O)C1=CC(=CC=C1)Cl>>C(#N)CCOC(=O)C1=C(NC(=C(C1C1=CC(=CC=C1)Cl)C(NCCC(C1=CC=CC=C1)C1=CC=CC=C1)=O)COCCCl)C | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:15]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[CH:14][C:13]([CH:22]=O)=[CH:12]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.C([CH2:31][NH2:32])C1C=CC=CC=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])O.[Na+]>O1CCCC1>[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:15]([C:16]3[CH:... | 1 |
CN=C=S.ClC1=C(C(=C(N=N1)NN)C)C>>ClC1=C(C(=C(N=N1)NNC(NC)=S)C)C | 5 |
N(C)OC.C1(CC1)CC(=O)O>ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(CC1)CC(=O)N(C)OC | 3 |
BrC=1C(=CC2=C(CCS2)C1)OC>>COC1=CC2=C(CCS2(=O)=O)C=C1Br | 5 |
[Si](C)(C)(C(C)(C)C)OCCN1C(=C(C2=NC=CC=C21)C2=CC=C(C=C2)Cl)C(=O)OCC>C1CCCO1.ClCCl.Cl.C(O)([O-])=O.[Na+]>ClC1=CC=C(C=C1)C=1C2=C(N3C1C(OCC3)=O)C=CC=N2 | 3 |
C(C)OC(=O)COC[C@H](C1=CC(=CC=C1)F)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C(C=CC1)[C@H]1COCC(N1)=O | 3 |
CC1(CCOCC1)CC(=O)O.Cl.Cl.C1(CC12CCNCC2)CNC(=O)N2CC=1C=NC=CC1C2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CC1(CCOCC1)CC(=O)N1CCC2(CC2CNC(=O)N2CC=3C=NC=CC3C2)CC1 | 3 |
C(C)N1N=C(C=C1C)C(=O)O.COC(C1=CC(=CC(=C1)F)N)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)N1N=C(C=C1C)C(=O)NC=1C=C(C(=O)OC)C=C(C1)F | 3 |
C(C=C)#N.ClC1=CC(=C(C=C1)[C@@H](CNC1CCOCC1)O)F>>ClC1=CC(=C(C=C1)[C@@H](CN(CCC#N)C1CCOCC1)O)F | 3 |
C(C)(C)(C)OC(NC1CCN(CC1)C=1C=NC(=C(C1)C(N)=O)OC1=CC=C(C=C1)OC1=CC(=CC=C1)F)=O>ClCCl.Cl.O1CCOCC1>NC1CCN(CC1)C=1C=NC(=C(C1)C(=O)N)OC1=CC=C(C=C1)OC1=CC(=CC=C1)F | 3 |
FC1=NC=CC=C1N.OC1(CCN(CC1)C(=O)C1CCC(CC1)=O)CN1C=NC2=C(C1=O)C=NN2C2=CC=CC=C2>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>FC1=NC=CC=C1NC1CCC(CC1)C(=O)N1CCC(CC1)(O)CN1C=NC2=C(C1=O)C=NN2C2=CC=CC=C2 | 3 |
C([O:3][C:4]([C:6]1[N:7]([CH3:23])[C:8]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[N:9][C:10]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=O)C.[ClH:24]>>[CH3:23][N:7]1[C:6]([C:4]([Cl:24])=[O:3])=[C:10]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[N:9]=[C:8]1[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 2 |
C([O:3][CH:4](OCC)[CH2:5][CH2:6][NH:7][C:8]([C:10]1[CH:14]=[C:13]([C:15]2[CH:20]=[C:19]([O:21][C:22]3[CH:27]=[CH:26][C:25]([F:28])=[C:24]([NH:29][C:30]([C:32]4[O:33][CH:34]=[CH:35][C:36]=4[CH3:37])=[O:31])[CH:23]=3)[CH:18]=[CH:17][N:16]=2)[NH:12][CH:11]=1)=[O:9])C.Cl.O.[OH-].[Na+]>O1CCCC1>[F:28][C:25]1[CH:26]=[CH:27][C... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[N:12][N:11]3[C:14](=[O:17])[NH:15][N:16]=[C:10]3[C:9]=2[C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[Cl:31][C:32]1[CH:39]=[CH:38][C:35]([CH2:36]Br)=[CH:34][CH:33]=1.O>CN(C=O)C>[Cl:31][C:32]1[CH:39]=[CH:38][C:35]([CH2:36][N... | 1 |
FC(OCC[C@H]1N(C[C@@H](C1)OC1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C(=O)OC)C=C1)F>O.CO[H].Cl.O[Li].O>FC(OCC[C@H]1N(C[C@@H](C1)OC1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C(=O)O)C=C1)F | 3 |
CCCC[N+](CCCC)(CCCC)CCCC.[F-].[Si]([O:36][C@H:37]1[CH2:42][CH2:41][C@@:40]([C@H:44]2[CH2:52][CH2:51][C@@:50]3([CH3:53])[C@@H:46]([CH2:47][CH2:48][C@:49]3([CH3:55])[OH:54])[C@@H:45]2[CH2:56][OH:57])([CH3:43])[C@@H:39]([CH2:58][OH:59])[CH2:38]1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1>C1COCC1>[OH:36][C@H:37]1[CH2:42][CH2:41][C... | 2 |
COC1=C(C=CC(=C1)OC)B(O)O.C(C)(=O)OC1=CC(=C(C2=CC(=CC=C12)OC)C1=CC=C(C=C1)Br)C(=O)OC>>C(C)(=O)OC1=CC(=C(C2=CC(=CC=C12)OC)C1=CC=C(C=C1)C1=C(C=C(C=C1)OC)OC)C(=O)OC | 5 |
C(C)(C)(C)OC(NCC1CCNCC1)=O.C(#N)C1=CC=C(C=C1)C1=CN=C2N1N=C(C=C2)C2=CC=C(C(=O)O)C=C2>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(#N)C1=CC=C(C=C1)C1=CN=C2N1N=C(C=C2)C2=CC=C(C(=O)N1CCC(CC1)CNC(OC(C)(C)C)=O)C=C2 | 3 |
C(OP([CH2:9][C:10]1[CH:15]=[C:14]([O:16][CH3:17])[C:13]([CH2:18][CH2:19][CH3:20])=[C:12]([O:21][CH3:22])[CH:11]=1)(=O)OCC)C.[F:23][C:24]1[CH:31]=[CH:30][C:27]([CH:28]=O)=[CH:26][CH:25]=1>>[CH3:17][O:16][C:14]1[CH:15]=[C:10]([CH:9]=[CH:28][C:27]2[CH:30]=[CH:31][C:24]([F:23])=[CH:25][CH:26]=2)[CH:11]=[C:12]([O:21][CH3:22... | 2 |
[O:1]1[CH2:6][CH2:5][N:4]([CH2:7][CH2:8][O:9][C:10]2[CH:17]=[CH:16][C:13]([CH:14]=O)=[CH:12][CH:11]=2)[CH2:3][CH2:2]1.[NH2:18][C:19]1[N:20]=[N:21][C:22]([CH3:25])=[CH:23][CH:24]=1.C([O:28][C:29](=O)[C:30]([OH:43])=[CH:31][C:32]([C:34]1[CH:39]=[CH:38][C:37]([CH:40]([CH3:42])[CH3:41])=[CH:36][CH:35]=1)=[O:33])C>>[OH:43][... | 2 |
FC1=C(N)C=C(C(=C1F)F)I>C([O-])([O-])=O.[Na+].[Na+].CN1C(CCC1)=O.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>NC=1C(=C(C(=C(C1)B(O)O)F)F)F | 3 |
CC(C(=O)O)(C)C.C(C)(C)(C)OC(=O)N1CCC2(C(O2)C2=CC=C(N=[N+]2[O-])Cl)CC1>CN(P(=O)(N(C)C)N(C)C)C.C(=O)([O-])C(O)C(O)C(=O)[O-].[K+].[Na+].[I-].[Sm+2].[I-]>ClC1=CC=C(N=N1)CC1(CCN(CC1)C(=O)OC(C)(C)C)O | 3 |
FC1=NC(=CC=C1)F.NC1=NC=CC=C1C1=CC(=NO1)CC1=CC=C(C=C1)O>N(C)(C)C=O.CC(C)(C)[O-].[K+]>FC1=CC=CC(=N1)OC1=CC=C(CC2=NOC(=C2)C=2C(=NC=CC2)N)C=C1 | 3 |
NC=1C=C(C=CC1C(=O)N1CCN(CC1)C1=NC=C(C=C1C)C)N1C(OCC1)=O>ClCCl.CCN(CC)CC.C(C)(=O)Cl>C(C)(=O)NC=1C=C(C=CC1C(=O)N1CCN(CC1)C1=NC=C(C=C1C)C)N1C(OCC1)=O | 3 |
ClC=1N=NC(=CC1C(C)(C)C)Cl>>ClC=1N=NC(=CC1C(C)(C)C)NN | 5 |
C(O[C:6]([N:8]([N:10]1[C:19]2[C:14](=[C:15]([F:23])[C:16]([F:22])=[C:17]([F:21])[C:18]=2[F:20])[C:13](=[O:24])[C:12]([C:25]([O:27][CH2:28][CH3:29])=[O:26])=[CH:11]1)C)=O)(C)(C)C.Cl.O1CCOCC1>C(OCC)(=O)C>[CH3:6][NH:8][N:10]1[C:19]2[C:14](=[C:15]([F:23])[C:16]([F:22])=[C:17]([F:21])[C:18]=2[F:20])[C:13](=[O:24])[C:12]([C:... | 1 |
O[C@H]1CO[C@H]2[C@@H]1N(C[C@@H]2SC)C(=O)OCC2C1=CC=CC=C1C=1C=CC=CC21>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>CS[C@@H]1[C@@H]2[C@H](N(C1)C(=O)OCC1C3=CC=CC=C3C=3C=CC=CC13)C(CO2)=O | 3 |
C(C1=CC=CC=C1)OC1=C(C=C(C=C1)[C@H](CN[C@@H](CC1=CC=C(C=C1)SC1=CC=CC=C1)CO)O)NS(=O)(=O)C>ClCCl.B(Br)(Br)Br>OC1=C(C=C(C=C1)[C@H](CN[C@@H](CC1=CC=C(C=C1)SC1=CC=CC=C1)CO)O)NS(=O)(=O)C | 3 |
FC(C1=CC=C(C=C1)[Mg]Br)(F)F.FC1=CC=C(C=C1)C1=C2C(CC3(CCC3)OC2=CC(=C1C=O)C(C)C)=O>C1CCCO1.C(O)([O-])=O.[Na+]>FC1=CC=C(C=C1)C1=C2C(CC3(CCC3)OC2=CC(=C1C(C1=CC=C(C=C1)C(F)(F)F)O)C(C)C)=O | 3 |
C[Si](ON)(C)C.C(C)(C)(C)C1CCC(CC1)C(C1=CC=C(C(=O)NCCC(=O)O)C=C1)NC(=O)NC1=CC=C(C=C1)OC(F)(F)F>>C(C)(C)(C)[C@@H]1CC[C@H](CC1)C(C1=CC=C(C(=O)NCCC(NO)=O)C=C1)NC(=O)NC1=CC=C(C=C1)OC(F)(F)F | 5 |
Cl[CH2:2][C:3]1[N:8]=[C:7]([C:9]([NH:11][C:12]2[CH:20]=[C:19]([C:21]3[CH:22]=[N:23][C:24]([Cl:32])=[C:25]([NH:27][S:28]([CH3:31])(=[O:30])=[O:29])[CH:26]=3)[CH:18]=[C:17]3[C:13]=2[CH:14]=[N:15][N:16]3S(C2C=CC=CC=2)(=O)=O)=[O:10])[CH:6]=[CH:5][CH:4]=1.[NH:42]1[CH2:47][CH2:46]C[CH2:44][CH2:43]1.[OH-].[Na+].Cl.C[N:52](C=[... | 1 |
ClC1=C(C(=O)O)C(=CC=C1)C1CC1>>ClC1=C(C(=O)Cl)C(=CC=C1)C1CC1 | 5 |
C(C)OC(=O)C1=C(C=2C=NC=C(C2S1)F)NC1=C(C=C(C=C1)[Si](C)(C)C)F>>C(C)OC(=O)C1=C(C=2C=NC=C(C2S1)F)NC1=C(C=C(C=C1)I)F | 5 |
C1(=CC=CC=C1)C1=C(OC=C1)C(=O)OCC>>BrC1=CC(=C(O1)C(=O)OCC)C1=CC=CC=C1 | 5 |
C1COCCN1.BrC=1C=CC(=C(C1)NC1=C(C(=NC2=CC(=CC=C12)F)C1=C(C=CC=C1)F)C)N1CCOCC1>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.CC(C)(C)[O-].[Na+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>N1(CCOCC1)C1=C(C=C(C=C1)N1CCOCC1)NC1=C(C(=NC2=... | 3 |
[Cl:1][C:2]1[N:7]=[C:6]([CH2:8][C:9]([C:11]2[C:12]([F:29])=[C:13]([NH:17][S:18]([C:21]3[C:26]([F:27])=[CH:25][CH:24]=[CH:23][C:22]=3[F:28])(=[O:20])=[O:19])[CH:14]=[CH:15][CH:16]=2)=O)[CH:5]=[CH:4][N:3]=1.C1C(=O)N(Br)C(=O)C1.[NH2:38][C:39]([N:41]1[CH2:46][CH2:45][N:44]([C:47]([O:49][C:50]([CH3:53])([CH3:52])[CH3:51])=[... | 1 |
CC(=C)C.ClC=1C=C(C=O)C=CC1F.NC=1C=CC(=NC1)C#N>>ClC=1C=C(C=CC1F)C1NC=2C=CC(=NC2C(C1)(C)C)C#N | 5 |
C(C1=CC=CC=C1)O[C@H]1C([C@@H](O[C@]1(CCl)COCC1=CC=CC=C1)N1C=2N=C(NC(C2N=C1)=O)NC(C)=O)=O>CC#N.C1CCCO1.[Na+].[BH4-].[Cl-].[NH4+]>NC=1NC(C=2N=CN(C2N1)[C@@H]1O[C@]([C@H]([C@@H]1O)OCC1=CC=CC=C1)(CCl)COCC1=CC=CC=C1)=O | 3 |
C(OC(=O)[NH:7][CH:8]([CH:11]([OH:21])[C:12]1[O:13][C:14]2[C:15]([N:20]=1)=[N:16][CH:17]=[CH:18][CH:19]=2)[CH2:9][CH3:10])(C)(C)C.[ClH:23].C(OCC)C>O1CCOCC1>[ClH:23].[NH2:7][CH:8]([CH2:9][CH3:10])[CH:11]([C:12]1[O:13][C:14]2[C:15]([N:20]=1)=[N:16][CH:17]=[CH:18][CH:19]=2)[OH:21] | 2 |
BrCCCCC(=O)OCC.BrC1=C(C=C(C=C1)O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=C(C=C(C=C1)OCCCCC(=O)OCC)OC | 3 |
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[S:14][C:13]([NH:15][C:16]([N:18]3[CH:22]=[CH:21]N=C3)=[O:17])=[N:12][C:11]=2[CH3:23])=[CH:6][CH:5]=1)(=[O:3])[CH3:2].C(N(CC)CC)C.NCC[C:34]([NH:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35].O>CN(C)C=O>[C:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[S:14][C:13]([NH:15][C:16](=[O:17])[NH:18][... | 1 |
[Si:1]([O-:5])([O-:4])([O-:3])[O-:2].[Na+:6].[Na+].[Na+].[Na+].O.[Co:11]=O.[H][H]>>[Si:1]([O-:5])([O-:4])([O-:3])[O-:2].[Na+:6].[Na+:6].[Na+:6].[Na+:6].[Co:11] | 1 |
[OH:1][C@H:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[C@@H:4]([CH3:15])[CH2:3]1.[H-].[Na+].[CH3:18]I.O>CN(C=O)C>[CH3:18][O:1][C@H:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[C@@H:4]([CH3:15])[CH2:3]1 | 2 |
S(Cl)(Cl)=O.[NH2:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][C:13]([OH:15])=[O:14])=[CH:8][CH:7]=1.[CH3:16]O>>[NH2:5][C:6]1[CH:7]=[CH:8][C:9]([CH2:12][C:13]([O:15][CH3:16])=[O:14])=[CH:10][CH:11]=1 | 2 |
ClC(C(=O)OCC)C(=O)C.COC1=CC=C(C(=O)N)C=C1>>C(C)OC(=O)C1=C(N=C(O1)C1=CC=C(C=C1)OC)C | 3 |
C12(CCC1)OC1=C(CN(C2)CC=2C=C(C=CC2C)C(CC(=O)OCC)C2=C(C3=C(N(N=N3)C)C=C2)C)C=CC=C1>O.C1CCCO1.[OH-].[Li+]>C12(CCC1)OC1=C(CN(C2)CC=2C=C(C=CC2C)C(C(=O)O)CC2=C(C3=C(N(N=N3)C)C=C2)C)C=CC=C1.N1(N=CC=C1)C1CNCCC1 | 3 |
S(Cl)(Cl)=O.[Br:5][C:6]1[CH:11]=[CH:10][C:9](/[C:12](/[CH3:16])=[CH:13]/[CH2:14]O)=[CH:8][CH:7]=1.C(N(CC)CC)C.[CH3:24][C:25]1([OH:31])[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]1.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[Br:5][C:6]1[CH:11]=[CH:10][C:9](/[C:12](/[CH3:16])=[CH:13]/[CH2:14][N:28]2[CH2:29][CH2:30][C:25]([CH3:24])([OH:31])[C... | 2 |
S(=O)(=O)(C1=CC=C(C)C=C1)N1C=CC=2C1=NC=C(N2)NC(OC(C)(C)C)=O.BrCC(=O)[C@H]1CN(C[C@H]1CC)C(=O)OCC1=CC=CC=C1>>C(C)(C)(C)OC(=O)N(CC(=O)[C@H]1CN(C[C@H]1CC)C(=O)OCC1=CC=CC=C1)C=1N=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2 | 5 |
CN1C(NCC1)=O.ClC1=CC=C(C=N1)S(=O)(=O)NC=1C(=CC=C2C=NN(C12)C)OC>CC(C)(C)[O-].[K+].CS(=O)C>COC1=CC=C2C=NN(C2=C1NS(=O)(=O)C=1C=NC(=CC1)N1C(N(CC1)C)=O)C | 3 |
[CH2:1]([O:8][C:9]1[CH:14]=[C:13]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C:12]([CH:23]([CH3:25])[CH3:24])=[CH:11][C:10]=1[C:26]1[O:30][N:29]=[C:28]([C:31]([NH:33][CH2:34][CH3:35])=[O:32])[C:27]=1[C:36](=[N:38][OH:39])[NH2:37])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:40][O:41][CH2:42][C:43](C... | 2 |
NC1=CC=C(C=C1)CCO.O(C1=CC=CC=C1)C1=CC2=C(N=C(N=C2)S(=O)(=O)C)N(C1=O)C>CN1C(CCC1)=O>OCCC1=CC=C(C=C1)NC=1N=CC2=C(N1)N(C(C(=C2)OC2=CC=CC=C2)=O)C | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([NH2:10])[C:5]([NH2:9])=[CH:6][C:7]=1[CH3:8].[C:11]([O:15][C:16]([N:18]1[CH2:23][CH2:22][C@@H:21]([NH:24][C:25]([NH:27][C:28]2[CH:33]=[CH:32][C:31]([C:34]#[N:35])=[CH:30][CH:29]=2)=[O:26])[CH2:20][C@@H:19]1[C:36](O)=[O:37])=[O:17])([CH3:14])([CH3:13])[CH3:12].F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)... | 1 |
ClC1=C(C=C(C(=C1)C)C)C=1C(N(C2(C1O)CCN(CC2)OC)OCCOC)=O>C(Cl)(Cl)(Cl)[H].C(O)([O-])=O.[Na+].S(=O)(=O)(Cl)Cl>ClC1(C(N(C2(C1=O)CCN(CC2)OC)OCCOC)=O)C2=C(C=C(C(=C2)C)C)Cl | 3 |
[CH:1]1([C:4]2[N:9]3[N:10]=[CH:11][C:12]([C:13](O)=[O:14])=[C:8]3[N:7]=[C:6]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=3)[CH:5]=2)[CH2:3][CH2:2]1.[NH2:26][C:27]1[CH:28]=[C:29]([S:33]([NH:36][C:37]([CH3:40])([CH3:39])[CH3:38])(=[O:35])=[O:34])[CH:30]=[CH:31][CH:32]=1>>[C:37]([NH:36][S:33]... | 1 |
CS(=O)(=O)Cl.BrC=1C=C(CN2C(=NC=3N(C(N(C(C23)=O)C)=O)C)SC(CO)(C)C)C=CC1>>CS(=O)(=O)OCC(C)(C)SC1=NC=2N(C(N(C(C2N1CC1=CC(=CC=C1)Br)=O)C)=O)C | 5 |
ClC1=C(C(=C(C(=O)OC)C=C1)NCCCCl)[N+](=O)[O-]>>NC=1C(=C(C(=O)OC)C=CC1Cl)NCCCCl | 5 |
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