smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][C@@H:2]1[CH2:6][CH2:5][C@H:4]([NH:7][C:8](=[O:16])[C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=2)[CH2:3]1.Cl[C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH3:24])[N:19]=1.C([O-])(O)=O.[Na+]>C(O)CCC.C(Cl)(Cl)Cl>[F:15][C:12]1[CH:11]=[CH:10][C:9]([C:8]([NH:7][C@H:4]2[CH2:5][CH2:6][C@@H:2]([NH:1][C:18]3[CH:23]=[CH:22... | 2 |
N#CBr.NC=1C=C(C=C(C1N)C)C1=CN=C2C(=N1)N(C(CN2)=O)CC2CCOCC2>>NC1=NC2=C(N1)C=C(C=C2C)C2=CN=C1C(=N2)N(C(CN1)=O)CC1CCOCC1 | 5 |
FC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)N1[C@H](CN(CC1)C(=O)OC(C)(C)C)CO>N(C)(C)C=O.[H-].[Na+]>[N+](=O)([O-])C=1C(=CC2=C(OC[C@@H]3N2CCN(C3)C(=O)OC(C)(C)C)C1)C(=O)OC | 3 |
[F:1][C:2]([F:12])([F:11])[O:3][C:4]1[CH:5]=[C:6](Br)[CH:7]=[CH:8][CH:9]=1.[O:13]=[C:14]1[CH2:17][C:16]2([CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:19][CH2:18]2)[CH2:15]1>C1COCC1>[OH:13][C:14]1([C:6]2[CH:7]=[CH:8][CH:9]=[C:4]([O:3][C:2]([F:12])([F:11])[F:1])[CH:5]=2)[CH2:17][C:1... | 2 |
[CH3:1][O:2][C:3]1[CH:28]=[C:27]([O:29][CH3:30])[CH:26]=[CH:25][C:4]=1[CH2:5][N:6]([C:19]1[CH:24]=[CH:23][N:22]=[CH:21][N:20]=1)[S:7]([C:10]1[C:15]([F:16])=[CH:14][C:13](F)=[CH:12][C:11]=1[F:18])(=[O:9])=[O:8].[F:31][C:32]1([F:45])[CH2:37][CH2:36][C@H:35]([OH:38])[C@@H:34]([C:39]2[N:43]([CH3:44])[N:42]=[CH:41][CH:40]=2... | 1 |
NC=1SC2=C(N1)C=CC(=C2C)C(=O)OC>>CC1=C(C=CC=2N=CSC21)C(=O)OC | 5 |
C(C)=O.Cl.FC(C1=NN=C(O1)C1=CC(=C(CN(S(=O)(=O)N2CCNCC2)C2=CC=CC=C2)C=C1)F)F>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>FC(C1=NN=C(O1)C1=CC(=C(CN(S(=O)(=O)N2CCN(CC2)CC)C2=CC=CC=C2)C=C1)F)F | 3 |
[C:1]1([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:6]=[CH:5][C:4]([O:7][C@@H:8]2[CH2:13][CH2:12][CH2:11][C@@H:10]([OH:14])[CH2:9]2)=[CH:3][CH:2]=1.[CH3:21][O:22][C@:23]([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)([C:27]([F:30])([F:29])[F:28])[C:24](O)=[O:25].CCN=C=NCCCN(C)C.Cl>CN(C1C=CN=CC=1)C.ClCCl>[C:1]1([... | 2 |
C(#N)N1C(=NC(C1=O)(C)C(C)C)C1=C(C(=O)[O-])C=CC=N1.C(CCC)[N+](CCCC)(CCCC)CCCC>C1CCCCC1.C(C)(=O)OCC>C(#N)N1C(=NC(C1=O)(C)C(C)C)C1=C(C(=O)O)C=CC=N1 | 3 |
CC1(C(=O)OC(C1)=O)C>CC(C)(C)[O-].[K+].C1CCCO1.CO[H].[Cl-].[NH4+].B.C1CCOC1>C(C1=CC=CC=C1)OP(=O)(OCC1=CC=CC=C1)OCC(CC(=O)OC(C)(C)C)(C)C.OCC(CC(=O)OC(C)(C)C)(C)C | 3 |
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[C:4]([CH3:10])[CH:3]=1.Br[CH2:12][CH2:13][CH2:14][CH3:15]>>[CH3:10][C:4]1[CH:3]=[C:2]([O:1][CH2:12][CH2:13][CH2:14][CH3:15])[CH:9]=[CH:8][C:5]=1[CH:6]=[O:7] | 1 |
Cl.ClC1=CC=NC=C1.NC1=CC=C(C=C1)S>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>N1=CC=C(C=C1)SC1=CC=C(N)C=C1 | 3 |
Cl.Cl.ClC1=C(C(=O)N(C)C)C=CC(=C1)NC1CN(C1)C1CCNCC1.FC=1C=C(C=CC1)C1(CCC1)C(=O)O>N(C)(C)C=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>ClC1=C(C(=O)N(C)C)C=CC(=C1)NC1CN(C1)C1CCN(CC1)C(=O)C1(CCC1)C1=CC(=CC=C1)F | 3 |
BrC1=CC=CC(=N1)OCC1=NN(C=C1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>BrC1=NC(=CC=C1)OCC1=NNC=C1 | 3 |
COC1=CC=C(CN2N=C(C(=C2)C(=O)O)C(F)(F)F)C=C1>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.[Cl-].[NH4+].C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>COC1=CC=C(C=C1)CN1N=C(C(=C1)C(=O)N)C(F)(F)F | 3 |
Cl.ON.C(#N)C=1C=C(C=NC1S(NC=1C=CC2=C(B(OC2)O)C1)(=O)=O)NC(C(F)(F)F)=O>>FC(C(=O)NC=1C=NC(=C(C1)C(NO)=N)S(NC=1C=CC2=C(B(OC2)O)C1)(=O)=O)(F)F | 5 |
ClC1=NC=CC(=N1)C1=CC=C(C=C1)C(F)(F)F.C(N)(=O)C1=CC=C(OC2=C(C=C3C(CCOC3=C2)C(=O)OCC)Cl)C=C1>C1CCCO1.[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.C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>ClC=1C=C2C(CCOC2=CC1OC1=CC=C(C... | 3 |
[F:1][C:2]1[CH:7]=[C:6](F)[CH:5]=[C:4]([F:9])[C:3]=1[N+:10]([O-:12])=[O:11].C(=O)([O-])[O-].[K+].[K+].[NH:19]1[CH2:24][CH2:23][O:22][CH2:21][CH2:20]1>CS(C)=O>[F:1][C:2]1[CH:7]=[C:6]([N:19]2[CH2:24][CH2:23][O:22][CH2:21][CH2:20]2)[CH:5]=[C:4]([F:9])[C:3]=1[N+:10]([O-:12])=[O:11] | 1 |
FC(C=1C=C(C=CC1)S)(F)F.NC(CNC(=O)C=1C=NN2C1N=CC(=C2)Br)=O>>NC(CNC(=O)C=1C=NN2C1N=CC(=C2)SC2=CC(=CC=C2)C(F)(F)F)=O | 5 |
OCCOC1=C(C=C(C(=O)OCC)C=C1)OC>CO[H].[OH-].[K+]>OCCOC1=C(C=C(C(=O)O)C=C1)OC | 3 |
FC1=CC=C(CN2N=C(C3=C2CN(CC3)C(CNCCC(=O)OCC)=O)C(F)(F)F)C=C1>O.C1CCCO1.C(=O)(C(F)(F)F)O.O[Li].O>FC(C(=O)O)(F)F.FC1=CC=C(CN2N=C(C3=C2CN(CC3)C(CNCCC(=O)O)=O)C(F)(F)F)C=C1 | 3 |
N1(CCC1)C1=CC(=C(C=N1)C(C)O)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OC(C)C=1C=NC(=CC1C)N1CCC1 | 3 |
BrC1=CC=C(S1)C(=O)OCC>C1(=CC=CC=C1)C.C1CCNC1.[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.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C(C)OC(=O)C=1SC(=CC1)N1CCCC1 | 3 |
C(C)(C)(C)OC(=O)N1CC2=CC=C(C=C2C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=C2C=NN(C2=CC1[N+](=O)[O-])COCC[Si](C)(C)C>>[N+](=O)([O-])C1=C(C=C2C=NN(C2=C1)COCC[Si](C)(C)C)C=1C=C2CN(CC2=CC1)C(=O)OCCCC | 5 |
ClC1=NC=C(C(=N1)NC1=NNC(=C1)C1CC1)Cl.FC=1C=CC(=NC1)[C@H](C)N>C(C)(C)N(C(C)C)CC.C(CCC)O>ClC=1C(=NC(=NC1)N[C@@H](C)C1=NC=C(C=C1)F)NC1=NNC(=C1)C1CC1 | 3 |
[CH3:1][CH2:2][C@H:3]1[O:18][C:16](=[O:17])[C@H:15]([CH3:19])[C@@H:14]([O:20][C@@H:21]2[O:26][C@@H:25]([CH3:27])[C@H:24]([OH:28])[C@@:23]([O:30][CH3:31])([CH3:29])[CH2:22]2)[C@H:13]([CH3:32])[C@@H:12]([O:33][C@@H:34]2[O:39][C@H:38]([CH3:40])[CH2:37][C@H:36]([N:41]([CH3:43])[CH3:42])[C@H:35]2[OH:44])[C@@:11]([OH:46])([C... | 1 |
FC(CS(=O)(=O)NC1=CC=C(C=C1)OC1=C(C(=CC2=CC(=CC=C12)OC)C)C1=CC=CC=C1)(F)F>ClCCl.B(Br)(Br)Br>FC(CS(=O)(=O)NC1=CC=C(C=C1)OC1=C(C(=CC2=CC(=CC=C12)O)C)C1=CC=CC=C1)(F)F | 3 |
[C:1]1([C:7]#[C:8][C:9]2[CH:16]=[C:15]([C:17]#[C:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[C:12]([CH:13]=[O:14])=[CH:11][C:10]=2[CH:25]=[O:26])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[O-2:27].[O-2:28].[O-2].[Cr+6:30].[S:31](=[O:35])(=[O:34])([OH:33])[OH:32]>CC(C)=O.O>[O-2:14].[O-2:32].[O-2:27].[Cr+6:30].[S:31](=[O:... | 1 |
[N+](=O)([O-])C=1C=C2C(=CNC2=CC1)C=C(C(=O)NC1=CC=CC=C1)C#N>CCO[H].[HH].[Pd]C>NC=1C=C2C(=CNC2=CC1)C=C(C(=O)NC1=CC=CC=C1)C#N | 3 |
Cl.COC=1C=CC(=C(C1)N)OC=1C=C2CCC(OC2=CC1)C1=CC=CC=C1.COC1=CC(=C(OC2=CC=C3CC(COC3=C2)C2=CC=CC=C2)C=C1)[N+](=O)[O-]>>Cl.COC=1C=CC(=C(C1)N)OC1=CC=C2CC(COC2=C1)C1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][C:5]([N:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)=[C:4]([N+:15]([O-:17])=[O:16])[CH:3]=1.CCN(C(C)C)C(C)C.Br[CH2:28][CH2:29][C:30]([F:33])([F:32])[F:31]>C1COCC1.CO>[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][C:5]([N:9]2[CH2:14][CH2:13][N:12]([CH2:28][CH2:29][C:30]([F:33])([F:32])[F:31])[CH2:11][... | 2 |
Cl[C:2]1[N:11]=[C:10](Cl)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[NH:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1.O>O1CCCC1>[N:13]1([C:2]2[N:11]=[C:10]([N:13]3[CH2:17][CH2:16][CH2:15][CH2:14]3)[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=2)[CH2:17][CH2:16][CH2:15][CH2:14]1 | 1 |
FC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)C(\C=C\C1=CC=C(C=C1)OC)=O>>FC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)C1=NNC(C1)C1=CC=C(C=C1)OC | 5 |
O[C@@H]1[C@@H](N([C@@H](C1)C(NCC1=CC(=NC=C1)C=1C=NC(=NC1)C(F)(F)F)=O)C(=O)OC(C)(C)C)C>O.ClCCl.C(C)N(CC)S(F)(F)F>F[C@H]1[C@@H](N([C@@H](C1)C(NCC1=CC(=NC=C1)C=1C=NC(=NC1)C(F)(F)F)=O)C(=O)OC(C)(C)C)C | 3 |
[C:1]([N:5]1[C:10](=[O:11])[C:9](Cl)=[C:8]([S:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([C:21]([CH3:24])([CH3:23])[CH3:22])=[CH:17][CH:16]=2)[CH:7]=[N:6]1)([CH3:4])([CH3:3])[CH3:2].[F-:25].[K+].CS(C)=O>O>[C:1]([N:5]1[C:10](=[O:11])[C:9]([F:25])=[C:8]([S:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([C:21]([CH3:24])([CH3:23])[C... | 1 |
[CH2:1]([N:4]([CH2:11][CH:12]=[CH2:13])[C:5](=[O:10])[C:6]([F:9])([F:8])[F:7])C=C>Cl[Ru](=CC1C=CC=CC=1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl.C(Cl)Cl>[N:4]1([C:5](=[O:10])[C:6]([F:7])([F:8])[F:9])[CH2:1][CH:13]=[CH:12][CH2:11]1 | 1 |
IC1=CC=C(C=C1)OC.C#CCCCCC>>C(#CCCCCC)C1=CC=C(C=C1)OC | 3 |
OC1=CC=C(CO)C=C1.BrCCCCCCCCC=C>>C(CCCCCCCC=C)OC(C1=CC=CC=C1)O | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.BrC1=C2C(=CN=C1C#N)NNC2=O>N(C)(C)C=O.CCN(CC)CC>BrC1=C2C(=CN=C1C#N)N(N=C2O)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2 | 3 |
C1(=CC=C(C=C1)S(=O)(=O)C[C@@H]1CCC(O1)=O)C.C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C(CCCCCCCC)(O)CC)C)C1=CC(=C(C=C1)O)C>>C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C(CCCCCCCC)(O)CC)C)C1=CC(=C(OC[C@@H]2CCC(O2)=O)C=C1)C | 5 |
C[O:2][C:3](=[O:38])[CH2:4][C@H:5]([OH:37])[CH2:6][C@H:7]([OH:36])[CH2:8][CH2:9][C:10]1[N:11]([CH2:34][CH3:35])[C:12]([C:25](=[O:33])[NH:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[C:13]([CH:22]([CH3:24])[CH3:23])[C:14]=1[C:15]1[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=1.O.[OH-].[Na+:41]>C(O)C>[Na+:41].[CH2:... | 2 |
Cl[C:2]1[CH:3]=[C:4]([CH:24]=[CH:25][N:26]=1)[C:5]([NH:7][C:8]1[CH:9]=[CH:10][C:11]([CH3:23])=[C:12]([C:14]2[CH:19]=[CH:18][C:17]([C:20]([OH:22])=[O:21])=[CH:16][CH:15]=2)[CH:13]=1)=[O:6].[NH:27]1[CH2:31][CH2:30][CH2:29][CH2:28]1>>[CH3:23][C:11]1[CH:10]=[CH:9][C:8]([NH:7][C:5](=[O:6])[C:4]2[CH:24]=[CH:25][N:26]=[C:2]([... | 1 |
C(C)(=O)OCC(CN1C([C@H](O[C@@H](C2=C1C=CC(=C2)Cl)C2=C(C(=CC=C2)OC)OC)CC=2SC(=CN2)CC(=O)OCC)=O)(C)C>>ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC=2SC(=CN2)CC(=O)O)C2=C(C(=CC=C2)OC)OC)C1 | 5 |
[C:1]([CH:4]1[C:8]([CH3:10])([CH3:9])[CH2:7][C:6](=[O:11])[CH:5]1[CH3:12])([OH:3])=[O:2].S(Cl)(Cl)=O.S(Cl)(Cl)(=O)=O.[CH3:22]O>>[CH3:22][O:2][C:1]([C:4]1[C:8]([CH3:9])([CH3:10])[CH2:7][C:6](=[O:11])[C:5]=1[CH3:12])=[O:3] | 1 |
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[N:9]1[N:17]=[C:16]([C:18]([OH:20])=O)[C:15]2[CH:14]3[CH2:21][CH:11]([CH2:12][CH2:13]3)[C:10]1=2.C(Cl)(=O)C(Cl)=O.Cl.[NH2:29][CH2:30][C:31](=[O:36])[C:32]([CH3:35])([CH3:34])[CH3:33].CCN(CC)CC>ClCCl.CN(C1C=CN=CC=1)C.O.CN(C=O)C>[CH3:33][C:32]([CH3:35])([CH3:34])[C:31](=[... | 2 |
C(C=C)Cl.C(C1=CC=CC=C1)(=O)C1=CC=C(C=C1)O>C1CCCO1.[OH-].[K+].[I-].[K+]>C(C=C)OC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 | 3 |
ICCC.C1(CC1)NC(C1=CC(=C(C=C1)C)N1C=NC2=CC=C(C=C2C1=O)N1CCNCCC1)=O>>C1(CC1)NC(C1=CC(=C(C=C1)C)N1C=NC2=CC=C(C=C2C1=O)N1CCN(CCC1)CCC)=O | 5 |
ClC1=C(C=C(C#N)C=C1)[N+](=O)[O-].O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+]>>[N+](=O)([O-])C1=C(C=CC(=C1)C#N)C1=CC=CC=C1 | 5 |
[I:1][C:2]1[C:3]([CH3:12])=[C:4]([N+:9]([O-:11])=[O:10])[C:5](=[O:8])[NH:6][CH:7]=1.[H-].[Na+].[CH3:15][O:16][C:17]1[CH:24]=[CH:23][C:20]([CH2:21]Cl)=[CH:19][CH:18]=1>O>[CH3:15][O:16][C:17]1[CH:24]=[CH:23][C:20]([CH2:21][N:6]2[CH:7]=[C:2]([I:1])[C:3]([CH3:12])=[C:4]([N+:9]([O-:11])=[O:10])[C:5]2=[O:8])=[CH:19][CH:18]=1 | 1 |
C([O:8][C:9]1[CH:38]=[C:37]([Cl:39])[C:12]([CH2:13][C@@H:14]2[CH2:18][CH2:17][N:16]([C@H:19]3[CH2:24][CH2:23][C@H:22]([O:25][Si:26]([CH:33]([CH3:35])[CH3:34])([CH:30]([CH3:32])[CH3:31])[CH:27]([CH3:29])[CH3:28])[CH2:21][CH2:20]3)[C:15]2=[O:36])=[C:11]([Cl:40])[CH:10]=1)C1C=CC=CC=1.[H][H]>C(OCC)(=O)C.[OH-].[Pd+2].[OH-]>... | 1 |
C(CCO)O.C(C)(C)(C)C1=CC=C(C=C1)NC(C1=CC=C(C=C1)C(C)=O)=O>>C(C)(C)(C)C1=CC=C(C=C1)NC(C1=CC=C(C=C1)C1(OCCCO1)C)=O | 5 |
C(C1=CC=CC=C1)(=O)Cl.C(C1=CC=CC=C1)[C@@H]1CN(CCN1C(=O)C=1N=CN(C1C1=CC=CC=C1)CC1(CCN(CC1)CC1=CC=CC=C1)O)C(=O)OC(C)(C)C>>C(C1=CC=CC=C1)(=O)N1CCC(CC1)(O)CN1C=NC(=C1C1=CC=CC=C1)C(=O)N1[C@@H](CN(CC1)C(=O)OC(C)(C)C)CC1=CC=CC=C1 | 5 |
NC1=CC(=NN1)C1CCN(CC1)C(=O)OC(C)(C)C>O1CCOCC1.C1(C=2C(C(=O)O1)=CC=CC2)=O>O=C1N(C(C2=CC=CC=C12)=O)C1=NNC(=C1)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C)(=O)CC#N.C1(CC1)NN>CCO[H]>C1(CC1)N1N=C(C=C1N)C | 3 |
OC=1C=C(C=O)C=C(C1O)[N+](=O)[O-].C(C)C(C(=O)N)(C#N)CC>C1(=CC=CC=C1)C.C(C)(=O)O.N1CCCCC1>CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N | 3 |
BrC1=CC=C(C(=C1OC=1C=C(C#N)C=C(C1)Cl)F)CBr>>N(=[N+]=[N-])CC=1C(=C(C(=CC1)Br)OC=1C=C(C#N)C=C(C1)Cl)F | 5 |
[CH:1]1([S:6][CH:7]([C:11]2[CH:16]=[C:15]([C:17]([F:20])([F:19])[F:18])[CH:14]=[C:13]([C:21]([F:24])([F:23])[F:22])[CH:12]=2)[C:8](O)=[O:9])[CH2:5][CH2:4][CH2:3][CH2:2]1.[NH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][N:27]=1>C1COCC1>[CH:1]1([S:6][CH:7]([C:11]2[CH:16]=[C:15]([C:17]([F:18])([F:20])[F:19])[CH:14]=[C:13]([C... | 2 |
CC(C(=O)Cl)C.COC(C1=C(C=CC(=C1)F)N)=O>C1CCCO1.CCN(CC)CC>FC=1C=CC(=C(C(=O)OC)C1)NC(C(C)C)=O | 3 |
[CH3:1][C:2]1[N:6]=[C:5]([C:7]2[C:8]3[CH2:16][CH2:15][CH2:14][CH2:13][C:9]=3[S:10][C:11]=2[NH2:12])[S:4][N:3]=1.[C:17]12[C:25](=[O:26])[O:24][C:22](=[O:23])[C:18]=1[CH2:19][CH2:20][CH2:21]2>C(Cl)Cl.CO>[CH3:1][C:2]1[N:6]=[C:5]([C:7]2[C:8]3[CH2:16][CH2:15][CH2:14][CH2:13][C:9]=3[S:10][C:11]=2[NH:12][C:25]([C:17]2[CH2:21]... | 2 |
CC1=NOC(=C1C=1OC2=C(C1)C=C(C=C2)CC(=O)OC)C>O.CO[H].[OH-].[Na+]>CC1=NOC(=C1C=1OC2=C(C1)C=C(C=C2)CC(=O)O)C | 3 |
N=1N(N=CC1)C1=C(C(=O)O)C=C(C=C1)C.ClC=1C=CC2=C(N=C(O2)N2CCN[C@@H](CC2)C)C1>ClCCl.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CC=1C=CC(=C(C1)C(=O)N2CCN(CC[C@H]2C)C3=NC=4C=C(C=CC4O3)Cl)N5N=CC=N5 | 3 |
Br[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[CH3:10].B([C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=[O:19])=[CH:16][CH:15]=1)(O)O.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.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... | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:11])[CH3:10])=[CH:4][CH:3]=1.Cl[C:13]1[N:14]=[C:15]([OH:23])[C:16]2[CH:22]=[CH:21][N:20]=[CH:19][C:17]=2[N:18]=1>>[OH:23][C:15]1[C:16]2[CH:22]=[CH:21][N:20]=[CH:19][C:17]=2[N:18]=[C:13]([O:1][C:2]2[CH:3]=[CH:4][C:5]([NH:8][C:9](=[O:11])[CH3:10])=[CH:6][CH:7]=2)[N:14]=1 | 2 |
BrC=1C=C2C=NN(C2=CC1)CCN1CCCC1.ClC1=CC=C(C=C1)C1=CC=2C(NC=CC2O1)=O>[Cu]I.CN1C(CCC1)=O.C(=O)([O-])[O-].[Cs+].[Cs+].CN[C@H]1[C@@H](CCCC1)NC>ClC1=CC=C(C=C1)C1=CC=2C(N(C=CC2O1)C=1C=C2C=NN(C2=CC1)CCN1CCCC1)=O | 3 |
C[O:2][C:3]1[C:4]([C:13]2[CH:14]=[N:15][N:16]([CH3:18])[CH:17]=2)=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][CH:7]=[CH:6]2.B(Br)(Br)Br>ClCCl>[CH3:18][N:16]1[CH:17]=[C:13]([C:4]2[C:3]([OH:2])=[CH:12][CH:11]=[C:10]3[C:5]=2[CH:6]=[CH:7][CH:8]=[N:9]3)[CH:14]=[N:15]1 | 1 |
[NH2:1][C@@H:2]([CH2:6][OH:7])[CH:3]([CH3:5])[CH3:4].C(N(CC)CC)C.Cl[C:16]([O:18][CH3:19])=[O:17].NCC(O)=O>C1COCC1>[CH3:19][O:18][C:16]([NH:1][C@@H:2]([CH2:6][OH:7])[CH:3]([CH3:5])[CH3:4])=[O:17] | 1 |
CN1CCNCC1.C(C1=CC=CC=C1)NC(C1=CN=C(C=C1C1=C(C=CC=C1)C)Cl)=O>>C(C1=CC=CC=C1)NC(C1=CN=C(C=C1C1=C(C=CC=C1)C)N1CCN(CC1)C)=O | 5 |
COC1=C(CN)C=CC(=C1)OC.C(=O)C1=CC=2C(=NC=CC2S1)NC(C1=CC=CC=C1)=O>C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>COC1=C(CNCC2=CC=3C(=NC=CC3S2)NC(C2=CC=CC=C2)=O)C=CC(=C1)OC | 3 |
[NH2:1][C@H:2]([C:13]([OH:15])=[O:14])[C@@H:3]([CH3:12])[O:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.CCN(CC)CC.[NH:23]([C:38]([O:40][C:41]([CH3:44])([CH3:43])[CH3:42])=[O:39])[C@H:24]([C:28](ON1C(=O)CCC1=O)=[O:29])[CH:25]([CH3:27])[CH3:26].C(O)(=O)C>CN(C=O)C.C(Cl)(Cl)Cl>[NH:23]([C:38]([O:40][C:41]([CH3:43])([... | 1 |
[C:1]1([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C:8]([O:10][CH:11]1[CH2:16][CH2:15][N:14]([CH2:17][CH2:18][C:19]([N:21]([CH3:29])[CH2:22][CH2:23][CH2:24][CH2:25]C(O)=O)=[O:20])[CH2:13][CH2:12]1)=[O:9].[NH2:36][C:37]1[C:42]([CH3:43])=[CH:41][C:40]([CH2:44][OH:45])=[C:39]([CH... | 1 |
C(C)(C)(C)OC(NC1=NC=C(C=N1)C1=NC(=C2N=C(N(C2=N1)CC(F)(F)F)N1CCN(CC1)C(C(=O)N(C)C)=O)N1CCOCC1)=O>>NC1=NC=C(C=N1)C1=NC(=C2N=C(N(C2=N1)CC(F)(F)F)N1CCN(CC1)C(C(=O)N(C)C)=O)N1CCOCC1 | 5 |
[CH3:1][C:2]([O:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][CH:13]=1)([CH3:10])[C:3]#[C:4][C:5]([O:7][CH2:8][CH3:9])=[O:6]>ClCCCl.CC#N.CC(P(C(C)(C)C)C1C(C2C=CC=CC=2)=CC=CC=1)(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]>[CH3:10][C:2]1([CH3:1])[CH:3]=[C:4]([C:5]([O:7][CH2:8][CH3:9])=[O:6])[C:13]2[C:12](=[CH:1... | 2 |
ClC=1SC=C(N1)C=O>C1CCCO1.CNC>CN(C=1SC=C(N1)C=O)C | 3 |
O=C1NC(CCC1N1C(C2=C(C1)C=C(S2)CNC(OC2=CC=C(C=C2)[N+](=O)[O-])=O)=O)=O.NCCOCCOCCN1CCC(CC1)C(=O)NC=1SC(=CN1)SCC=1OC(=CN1)C(C)(C)C>C1CCCO1.CCN(CC)CC>C(C)(C)(C)C1=CN=C(O1)CSC1=CN=C(S1)NC(=O)C1CCN(CC1)CCOCCOCCNC(NCC1=CC2=C(C(N(C2)C2C(NC(CC2)=O)=O)=O)S1)=O | 3 |
BrC=1C=C(C=C2C=CNC12)Cl>>BrC=1C=C(C=C2C(=CNC12)C=O)Cl | 5 |
[Cl:1][SiH2:2][Cl:3].[CH2:4]=[CH:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cl-].[Rh]>[C:6]1([CH2:5][CH2:4][SiH:2]([Cl:3])[Cl:1])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
FC1=C(CC=2C(=NNC2C)O)C=CC(=C1F)OC.C(C1=CC=CC=C1)O[C@H]1[C@@H](O)O[C@@H]([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1>C1(=CC=CC=C1)C.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>FC1=C(CC=2C(=NNC2C)O[C@]2(O)[C@H](OCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@H](O2)COCC2=CC=CC=C2)C=CC... | 3 |
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([C:11]2[N:16]=[CH:15][CH:14]=[CH:13][N:12]=2)[C:3]=1[C:4]([OH:6])=O.[CH3:17][O:18][C:19]1[CH:24]=[C:23]([O:25][CH3:26])[N:22]=[C:21]([N:27]2[CH2:34][CH:33]3[CH:29]([CH2:30][NH:31][CH2:32]3)[CH2:28]2)[N:20]=1>>[CH3:17][O:18][C:19]1[CH:24]=[C:23]([O:25][CH3:26])[N:22]=[C:21]([N:27]2[... | 1 |
C(C)(C)(C)OC([C@H](CCC(=O)O)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)=O>CC#N.c1ccncc1.C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O>C(C)(C)(C)OC([C@H](CCC(=O)ON1C(CCC1=O)=O)NC(N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)=O)=O | 3 |
ClCCOCCCl.NC1=CC=C(C=C1)NC1=NN(C=N1)C1=CC(=NC=C1)N1CC(N(C(C1)C)C(C)=O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>CC1N(C(CN(C1)C1=NC=CC(=C1)N1N=C(N=C1)NC1=CC=C(C=C1)N1CCOCC1)C)C(C)=O | 3 |
C1(=CC=CC=C1)S(=O)(=O)Cl.BrC=1C=C(C=2C=NNC2C1)C#N>>BrC=1C=C(C=2C=NN(C2C1)S(=O)(=O)C1=CC=CC=C1)C#N | 5 |
[Si]([O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16]1[CH:17]=[CH:18][C:19]2[N:20]([CH:22]=[C:23]([C:25]3[CH:29]=[CH:28][O:27][CH:26]=3)[N:24]=2)[CH:21]=1)(C(C)(C)C)(C)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>O1CCCC1>[O:27]1[CH:28]=[CH:29][C:25]([C:23]2[N:24]=[C:19]3[CH:18]=[CH:17][C:16]([C:11]4[CH:12]=[CH:13][... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)NC(C1=CC(=C(C=C1)NC=1N=CC2=C(N(CC(C(N2C)=O)(F)F)C2CCCCC2)N1)OC)=O>ClCCl.C(=O)(C(F)(F)F)O>C1(CCCCC1)N1C2=C(N(C(C(C1)(F)F)=O)C)C=NC(=N2)NC2=C(C=C(C(=O)NC1CCNCC1)C=C2)OC | 3 |
Br[CH2:2][C:3]([C:5]1[C:6](=[O:16])[O:7][C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[C:10]([F:15])[CH:9]=2)=O.[F:17][C:18]1[CH:19]=[N:20][C:21]([NH2:24])=[N:22][CH:23]=1>CCO>[F:15][C:10]1[CH:9]=[C:8]2[C:13]([CH:14]=[C:5]([C:3]3[N:24]=[C:21]4[N:22]=[CH:23][C:18]([F:17])=[CH:19][N:20]4[CH:2]=3)[C:6](=[O:16])[O:7]2)=[CH:12][CH... | 2 |
BrC=1C=C2C=CNC2=NC1.ClC1=C(C=O)C(=CC=C1F)OCC>CO[H].[OH-].[K+]>BrC=1C=C2C(=NC1)NC=C2C(OC)C2=C(C(=CC=C2OCC)F)Cl | 3 |
ClC=1C=C2C(CC(NC2=CC1)C1=C(C=CC=C1)[N+](=O)[O-])(C)C>[Fe].CCO[H].Cl>ClC=1C=C2C(CC(NC2=CC1)C1=C(N)C=CC=C1)(C)C | 3 |
ICCC.CNC(C1=CC(=CC=C1)C1=C(C=C(C=C1C)C)C)=O>C1CCCO1.C(C)(=O)OCC.[H-].[Na+].[Cl-].[NH4+]>CN(C(C1=CC(=CC=C1)C1=C(C=C(C=C1C)C)C)=O)CCC | 3 |
Br[C:2]1[C:3]2[C:7]([CH:8]=[CH:9][CH:10]=1)=[N:6][N:5]1[C:11]([CH:16]3[CH2:21][CH2:20][N:19]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:18][CH2:17]3)=[CH:12][C:13](=[O:15])[NH:14][C:4]=21.[CH2:29]([O:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1B(O)O)[CH3:30].P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O1... | 2 |
ClC1=CC(=CC(N1)=O)C(=O)OC>C(C)(=O)OCC.CN1C(CCC1)=O.[Cl-].[NH4+].CNC>CN(C1=CC(=CC(N1)=O)C(=O)OC)C | 3 |
Cl.[NH2:2][C@@H:3]([C:8]([OH:10])=[O:9])[CH2:4][C:5]([OH:7])=[O:6]>Cl>[NH2:2][C@@H:3]([C:8]([OH:10])=[O:9])[CH2:4][C:5]([OH:7])=[O:6] | 2 |
P(=O)(OC(C)(C)C)(OC(C)(C)C)OC[C@H]1O[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C(NC(C(=C2C)C)=O)=O>O1CCOCC1.[Se](=O)=O>P(=O)(OC(C)(C)C)(OC(C)(C)C)OC[C@H]1O[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C(NC(C(=C2CO)C)=O)=O | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.ClC1=[N+](C=C(C=C1)OC)[O-]>>COC=1C=CC(=NC1)OC1CCNCC1 | 5 |
CS(Cl)(=O)=O.[CH3:6][O:7][C:8]1[CH:19]=[CH:18][C:17]([CH3:21])([CH3:20])[C:16]2[C:9]=1[CH:10]=[C:11]1[C:15]=2[CH:14]=[N:13][N:12]1[CH2:22][CH:23](O)[CH3:24].C(N(CC)CC)C.[N-:33]=[N+:34]=[N-:35].[Na+].[Cl-].[Na+]>ClCCl.CN(C)C=O>[N:33]([CH:23]([CH3:24])[CH2:22][N:12]1[C:11]2=[CH:10][C:9]3[C:16]([C:17]([CH3:21])([CH3:20])[... | 1 |
BrC=1C=C(NC1)C(=O)NC/C=C/C(=O)OCC>>BrC=1C=C2N(C(CNC2=O)CC(=O)OCC)C1 | 5 |
C1COCCN1.ClCC1=CC=C(C=C1)[C@@H](N1CC(C1)=C(S(=O)(=O)C)C1=CC(=CC(=C1)F)F)C1=CC=C(C=C1)Cl>ClCCl>ClC1=C(C=CC=C1)[C@]1(CC=C(C=C1)CN1CC(C1)=C(S(=O)(=O)C)C1=CC(=CC(=C1)F)F)CN1CCOCC1 | 3 |
N1CCC2=CC=CC=C12.C(OC(C)(C)C)(OC(C)(C)C)=O>>N1(CCC2=CC=CC=C12)C(=O)OC(C)(C)C | 5 |
FC(C=1N=C(N(C1)COCC[Si](C)(C)C)C1=CC=C(C(=O)OC)C=C1)(F)F>C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC(C=1N=C(N(C1)COCC[Si](C)(C)C)C1=CC=C(C=C1)CO)(F)F | 3 |
[C:1](Cl)(=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8][S:9][C:10]1[CH:18]=[CH:17][CH:16]=[CH:15][C:11]=1[C:12](Cl)=[O:13].[N+:21]([C:24]1[CH:30]=[CH:29][C:27]([NH2:28])=[CH:26][C:25]=1[C:31]([F:34])([F:33])[F:32])([O-:23])=[O:22]>ClCCl.N1C=CC=CC=1>[N+:21]([C:24]1[CH:30]=[CH:29][C:27]([NH:28][C:1](=[O:19])[C:2]2... | 1 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:16](=[CH:17][C:18]=1[O:19][CH3:20])[CH:15]([CH2:21]S(C1N(C3C=CC=CC=3)N=NN=1)(=O)=O)[N:14](C(OC(C)(C)C)=O)[CH2:13][CH2:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:43][O:44][C:45]1[C:46]([CH:54]=O)=[CH:47][C:48]2[O:52][CH2:51][O:50][C:49]=2[CH:53]=1.C[Si]([N-][Si](C)(C)C)(C)C.[... | 2 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([OH:7])=[O:6].[C:11](Br)([CH3:14])([CH3:13])[CH3:12]>C(=O)([O-])[O-].[Ag+2]>[C:11]([O:6][C:5](=[O:7])[C:4]1[CH:8]=[CH:9][CH:10]=[C:2]([Br:1])[CH:3]=1)([CH3:14])([CH3:13])[CH3:12] | 1 |
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