Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
CC1=C(CN2C(N(C=C(C2=O)C(=O)N[C@@H](C)C(=O)OC)C=2C=C3C(C(N(C3=CC2)C)=O)(C)C)=O)C=CC=C1C(F)(F)F>>CC1=C(CN2C(N(C=C(C2=O)C(=O)N[C@@H](C)C(=O)O)C=2C=C3C(C(N(C3=CC2)C)=O)(C)C)=O)C=CC=C1C(F)(F)F
5
COC1=CC=C(CBr)C=C1.C[C@@H](CC[C@H](C[C@@H]1CO1)O)C=C>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>C[C@@H](CC[C@H](C[C@@H]1CO1)OCC1=CC=C(C=C1)OC)C=C
3
O[CH2:2][CH2:3][CH2:4][N:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH:7]=[C:6]1[CH:14]=[CH:15][C:16]1[CH:20]=[CH:19][S:18][CH:17]=1.[N:21]1C(C)=CC=C[C:22]=1C.FC(F)(F)S(OS(C(F)(F)F)(=O)=O)(=O)=O.CN>C(Cl)Cl>[CH3:22][NH:21][CH2:2][CH2:3][CH2:4][N:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH:7]=[C:6]1[CH:14]=...
1
[Br:1][C:2]1[CH:14]=[CH:13][C:12]2[C:11]3[C:6](=[CH:7][C:8](Br)=[CH:9][CH:10]=3)[C:5]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[C:4]=2[CH:3]=1.C([Sn](CCCC)(CCCC)[C:33]1[S:34][CH:35]=[CH:36][CH:37]=1)CCC.C1(C)C=CC=CC=1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2...
1
BrCCO>O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CCO
3
C(C1=CC=CC=C1)OC(=O)N1CCC2(CC2NC(C2=CC=CC=C2)=O)CC1>CO[H].[HH].[Pd]>C1(CC12CCNCC2)NC(C2=CC=CC=C2)=O
3
NC=1N(C(N(C(C1)=O)CCCC(=O)OCC)=O)CCCC>O.Cl.C(C)(=O)O.N(=O)[O-].[Na+]>NC=1N(C(N(C(C1N=O)=O)CCCC(=O)OCC)=O)CCCC
3
Br[CH2:2][CH2:3][CH:4]1[O:8][CH2:7][CH2:6][O:5]1.[Mg].CN([CH:13]=[O:14])C>C1COCC1>[O:5]1[CH2:6][CH2:7][O:8][CH:4]1[CH2:3][CH2:2][CH:13]=[O:14]
2
COC1=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)Cl)C=C1.NC=1C2=C(N=C(N1)Cl)N(C=C2)[C@H]2C[C@@H]([C@@](O2)(C#C)CO[Si](C)(C)C(C)(C)C)O>ClCCl.N1=C(C=C(C=C1C)C)C.[N+](=O)([O-])[O-].[Ag+]>[Si](C)(C)(C(C)(C)C)OC[C@@]1([C@H](C[C@@H](O1)N1C=CC2=C1N=C(N=C2NC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=C(C=C2)OC)Cl)OC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=C(C...
3
ClC1=NC(=CC(=C1Cl)N)Cl>CC#N.C1(=CC=C(C=C1)S(=O)(=O)O)C.IN1C(CCC1=O)=O>ClC1=NC(=C(C(=C1Cl)N)I)Cl
3
Cl.[CH:2]1([C:5]2[C:6]([N:25]([C:30]3[CH:35]=[CH:34][C:33]([B:36]([OH:38])O)=[C:32]([CH2:39][O:40]COC)[CH:31]=3)[S:26]([CH3:29])(=[O:28])=[O:27])=[CH:7][C:8]3[O:12][C:11]([C:13]4[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=4)=[C:10]([C:20](=[O:23])[NH:21][CH3:22])[C:9]=3[CH:24]=2)[CH2:4][CH2:3]1>O1CCCC1.CO>[CH:2]1([C:5...
1
C(C)(C)(C)C1CCC(CC1)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>FC(S(=O)(=O)OC1=CCC(CC1)C(C)(C)C)(F)F
3
[C:1](Cl)(=[O:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14].[CH2:17]([O:19][C:20](=[O:39])[CH2:21][N:22]([C:29](=[O:38])[C:30]1[CH:35]=[C:34]([NH2:36])[CH:33]=[C:32]([NH2:37])[CH:31]=1)[CH2:23][C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH3:18].C(N([CH2:45][CH3:46])CC)C...
1
FC(C(=O)OC(C(F)F)=O)F.NCCC1=C(NC2=CC(=C(C=C12)OC)F)C(=O)O>>FC(C(=O)NCCC1=C(NC2=CC(=C(C=C12)OC)F)C(=O)O)F
5
[Cl:1][C:2]1[CH:8]=[C:7]([O:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:22][CH3:23])=[C:17]([O:20][CH3:21])[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:6]=[CH:5][C:3]=1[NH2:4].Cl[C:25](Cl)([O:27]C(=O)OC(Cl)(Cl)Cl)Cl.[C:36]1([CH:42]([OH:45])[CH2:43][CH3:44])[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1.C(=O)(O)[O-].[Na+]>C(Cl)Cl.C(N(CC)...
1
C([O:8][C:9]1[CH:26]=[CH:25][C:12]([CH2:13][N:14]([C:17]2[CH:24]=[CH:23][C:20]([C:21]#[N:22])=[CH:19][CH:18]=2)[CH2:15][CH3:16])=[CH:11][CH:10]=1)C1C=CC=CC=1.[H][H]>C(OCC)(=O)C>[CH2:15]([N:14]([C:17]1[CH:18]=[CH:19][C:20]([C:21]#[N:22])=[CH:23][CH:24]=1)[CH2:13][C:12]1[CH:11]=[CH:10][C:9]([OH:8])=[CH:26][CH:25]=1)[CH3:...
1
Cl.N1(CCNCC1)C1=NSC2=C1C=CC=C2.ClCCC=1C=C2CC(NC2=CC1Cl)=O>C([O-])([O-])=O.[Na+].[Na+].CN1C(CCC1)=O>C=1C=CC2=C(C1)C(=NS2)N3CCN(CC3)CCC=4C=C5C(=CC4Cl)NC(=O)C5
3
C(C)OC(=O)C(C1=CC2=C(C=C1)OCO2)NC2=NC=NC1=CC=C(C=C21)Cl>CCO[H].N>C(N)(=O)C(C1=CC2=C(C=C1)OCO2)NC2=NC=NC1=CC=C(C=C21)Cl
3
CN(CCN1CCNCC1)C.C1(=CC=CC=C1)OC(N(C(=O)OC1=CC=CC=C1)C1=NC=CC(=C1)OC1=C(C=C(C=C1)NC(=O)C1(CC1)C(NC1=CC=C(C=C1)F)=O)F)=O>N(C)(C)C=O>CN(CCN1CCN(CC1)C(=O)NC1=NC=CC(=C1)OC1=C(C=C(C=C1)NC(=O)C1(CC1)C(=O)NC1=CC=C(C=C1)F)F)C
3
CC([C@@H](C(=O)OC(C)(C)C)NCCNCC1=NC(=CC=C1)C)(C)C>CCN(CC)CC.ClCCCl.C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O>CC([C@@H](C(=O)OC(C)(C)C)N1C(N(CC1)CC1=NC(=CC=C1)C)=O)(C)C
3
ClC(=O)OC.N[C@H]1CN(C=2C=C(C=NC2C1)NC(C1=C(C=CC=C1Cl)Cl)=O)S(=O)(=O)C=1C=C(C=CC1)C>>ClC1=C(C(=O)NC2=CN=C3C[C@H](CN(C3=C2)S(=O)(=O)C=2C=C(C=CC2)C)NC(OC)=O)C(=CC=C1)Cl
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C12(CNCC2C1)C(=O)OCC>>C12(CN(CC2C1)C(=O)OC(C)(C)C)C(=O)OCC
5
FC(CCC(C#N)C#N)(F)F.ClCN1N=C(N=C1)C(F)(F)F>>FC(C1=NN(C=N1)CC(C#N)(C#N)CCC(F)(F)F)(F)F
5
ClC1=NC(=C(C#N)C=C1F)NC=1C=C2C=CC=NC2=CC1.N[C@@H](CN1C(C2=CC=CC=C2C1=O)=O)CC>C([O-])([O-])=O.[K+].[K+].O1CCOCC1>O=C1N(C(C2=CC=CC=C12)=O)C[C@@H](CC)NC1=NC(=C(C#N)C=C1F)NC=1C=C2C=CC=NC2=CC1
3
[F:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[C:8]1[C:12]([C:13]([OH:15])=O)=[C:11]([CH3:16])[O:10][N:9]=1.[CH2:17]([O:24][C:25](=[O:35])[NH:26][CH2:27][CH:28]1[CH2:33][CH2:32][CH2:31][CH:30]([NH2:34])[CH2:29]1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.Cl.CN(C)CCCN=C=NCC.ON1C2N=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>CN(C)C=O...
1
[OH:1][C:2]([C:13]1[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=1)([C:6]1[CH:11]=[CH:10][C:9]([CH3:12])=[CH:8][CH:7]=1)[C:3](O)=[O:4].[NH2:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:29][CH2:28][CH:27]([C:30]2[CH:31]=[C:32]([NH:37][C:38](=[O:42])[CH:39]([CH3:41])[CH3:40])[CH:33]=[CH:34][C:35]=2[CH3:36])[CH2:26][CH2:25]1>>...
1
[N+](=O)([O-])C=1C=C(C=CC1)S(=O)(=O)NC=1C=C2C(=NNC2=CC1)C1=CC=CC=C1>O.[Fe].CCO[H].Cl>NC=1C=C(C=CC1)S(=O)(=O)NC=1C=C2C(=NNC2=CC1)C1=CC=CC=C1
3
C(C)(C)(C)OC(=O)C1=CC=CC(=N1)C1CCN(CC1)C>Cl>Cl.CN1CCC(CC1)C1=NC(=CC=C1)C(=O)O
3
ClCC(=O)N(C(=O)Cl)C.C(#N)C(C=NO)(C)C>C1(=CC=CC=C1)C.CCN(CC)CC>ClCC(=O)N(C(O)=O)C.C(#N)C(C=NO)(C)C
3
C(C)=O.C(C)(C)(C)OC(NN1C(C2=C(C=CC=C2C(=C1C)Br)F)=O)=O>C(=O)(C(F)(F)F)O.C(C)(=O)O.C(#N)[BH3-].[Na+]>BrC1=C(N(C(C2=C(C=CC=C12)F)=O)NCC)C
3
C(C=O)(=O)OC.CP(C)=O>C(C)(=O)OCC.O1CCOCC1.C[O-].[Na+]>CP(=O)(C(C(=O)OC)O)C
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:7]=[CH:8][C:9]=1[C:10]1[O:14][CH:13]=[N:12][CH:11]=1)[NH2:6].[C:15]([C:18]1[S:22][C:21]([CH:23]=O)=[CH:20][CH:19]=1)(=[O:17])[CH3:16]>>[C:15]([C:18]1[S:22][C:21]([CH2:23][NH:6][C:5]2[CH:7]=[CH:8][C:9]([C:10]3[O:14][CH:13]=[N:12][CH:11]=3)=[C:3]([O:2][CH3:1])[CH:4]=2)=[CH:20][CH:19]=1)...
2
CN(C(C=C)=O)CC1=C(OC2=C1C=CC=C2)C.BrC1=CC2=C(NC(C(CC2)NC(OC(C)(C)C)=O)=O)N=C1>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(C)N(C(C)C)CC.P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CN(C(/C=C/C1=CC2=C(NC(C(CC2)NC(OC(C)(C)C)=O)=O)N=C1)=O)CC1=C(OC2=C1C=CC=C2)C
3
NC1=CC=C(C=N1)CN1C(C2(C3=CC=CC=C13)COC1=CC3=C(OCCO3)C=C12)=O>>ON=CNC1=NC=C(C=C1)CN1C(C2(C3=CC=CC=C13)COC1=CC3=C(OCCO3)C=C12)=O
5
C(C)(C)(C)OC(=O)N1CCC(CC1)O.BrC=1C=CC(=C(C#N)C1)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>BrC1=CC(=C(OC2CCN(CC2)C(=O)OC(C)(C)C)C=C1)C#N
3
[NH2:1][C:2]1[NH:3][C:4](=[O:20])[C:5]2[S:10][C:9](=[O:11])[N:8]([CH2:12][CH2:13][CH2:14][CH2:15][O:16]C(=O)C)[C:6]=2[N:7]=1>[NH4+].[OH-]>[NH2:1][C:2]1[NH:3][C:4](=[O:20])[C:5]2[S:10][C:9](=[O:11])[N:8]([CH2:12][CH2:13][CH2:14][CH2:15][OH:16])[C:6]=2[N:7]=1
1
[OH-].[CH3:2][C:3]1[CH:22]=[CH:21][C:6]([CH2:7][C:8]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:9]=2[CH2:10][CH2:11][CH2:12][CH:13]3[C:18]([OH:20])=[O:19])=[CH:5][CH:4]=1.[Mn]([O-])(=O)(=O)=[O:24].[K+].S(=O)(=O)(O)O.S(=O)(O)[O-].[Na+]>O>[C:3]1([CH3:2])[CH:4]=[CH:5][C:6]([C:7]([C:8]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:9]=2[CH2:10][C...
1
Cl.C(C)(C)C=1SC=C(N1)C(=O)N1CCOC2(C1)CCNCC2.BrCCC=1C=C(C=CC1)CCO>CC#N.O.C([O-])([O-])=O.[K+].[K+]>OCCC=1C=C(CCN2CCC3(CN(CCO3)C(=O)C=3N=C(SC3)C(C)C)CC2)C=CC1
3
C1(=CC=CC=C1)B(O)O.BrC1=CC=2CC3=CC(=C(C=C3C2C=C1C(C)(C)C)C(C)(C)C)Br>C1(=CC=CC=C1)C.O.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(=CC=CC=C1)C1=CC=2CC3=CC(=C(C=C3C2C=C1C(C)(C)C)C(C)(C)C)C1=CC=...
3
[Cl:1][C:2]1[CH:15]=[CH:14][C:13]([Cl:16])=[CH:12][C:3]=1[O:4][NH:5][C:6](=[O:11])[NH:7][CH2:8][CH2:9][CH3:10].[CH2:17]=[O:18].O>CN(C)C=O>[Cl:1][C:2]1[CH:15]=[CH:14][C:13]([Cl:16])=[CH:12][C:3]=1[O:4][N:5]([CH2:17][OH:18])[C:6](=[O:11])[NH:7][CH2:8][CH2:9][CH3:10]
1
OCC=1C=C(C=CC1)B(O)O.IC1=NN(C2=NC=NC(=C21)N)C(C)C>>NC1=C2C(=NC=N1)N(N=C2C=2C=C(C=CC2)CO)C(C)C
5
C(C)(C)(C)OC(=O)N1C[C@@H](CC1)N1N=C(C=2C1=NC=NC2N)C(NC=2OC1=C(N2)C=C(C=C1)Cl)=O>Cl>C(C=C)(=O)N1C[C@@H](CC1)N1N=C(C=2C1=NC=NC2N)C(=O)NC=2OC1=C(N2)C=C(C=C1)Cl
3
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([C:14]([F:17])([F:16])[F:15])=[CH:10][CH:9]=2)=[CH:4][C:3]=1[C:18]#[N:19].[CH3:20][O:21][C:22]1[CH:29]=[CH:28][C:25]([CH2:26]Cl)=[CH:24][CH:23]=1.C(N(CC)CC)C>C(#N)C>[CH3:20][O:21][C:22]1[CH:29]=[CH:28][C:25]([CH2:26][NH:1][C:2]2[CH:7]=[CH:6][C:5]([C:8]3[CH:9]=...
2
[CH2:1]=O.[NH:3]1[CH2:8][CH2:7][O:6][CH2:5][CH2:4]1.[CH3:9][O:10][C:11]1[CH:16]=[CH:15][C:14]([C@@H:17]2[C@H:22]([O:23][CH2:24][C:25]#[CH:26])[CH2:21][NH:20][CH2:19][C@@H:18]2[O:27][CH:28]([C:39]2[CH:40]=[CH:41][C:42]3[O:47][CH2:46][CH2:45][N:44]([CH2:48][CH2:49][CH2:50][O:51][CH3:52])[C:43]=3[CH:53]=2)[S:29]([C:32]2[C...
2
[O:1]1CCO[CH:2]1[C:6]1[CH:7]=[C:8]([N:12]([C:61]2[CH:62]=[C:63]([CH3:67])[CH:64]=[CH:65][CH:66]=2)[C:13]2[CH:25]=[CH:24][C:23]3[C:22]4[C:17](=[CH:18][C:19]([N:26]([C:34]5[CH:39]=[CH:38][CH:37]=[C:36]([CH:40]6OCC[O:41]6)[CH:35]=5)[C:27]5[CH:28]=[C:29]([CH3:33])[CH:30]=[CH:31][CH:32]=5)=[CH:20][CH:21]=4)[C:16]([CH2:53][C...
1
[H-].[Na+].C([NH:11][C:12]1[CH:17]=[C:16]([Cl:18])[CH:15]=[CH:14][C:13]=1[C:19](=O)[C:20]1[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=1)(=O)C1C=CC=CC=1.Br[CH2:29][C:30]([O:32][CH3:33])=[O:31]>O1CCCC1>[Cl:18][C:16]1[CH:17]=[C:12]2[C:13]([C:19]([C:20]3[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=3)=[C:29]([C:30]([O:32][...
1
C(C)(C)(C)OC(NC1CCC(CC1)NC1=NC=C2C(=N1)N(N=C2C2=CC(=CC=C2)NCC=2SC=CC2)COCC[Si](C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>S1C(=CC=C1)CNC=1C=C(C=CC1)C1=NNC2=NC(=NC=C21)NC2CCC(CC2)N
3
ClC1=NC(=C2N=CNC2=N1)Cl.COC=1C=C(CN)C=CC1OC>>ClC1=NC(=C2N=CNC2=N1)NCC1=CC(=C(C=C1)OC)OC
5
Cl.C1(=CCCC1)C1=CC(=C2C(=N1)CCC2)NC2=CC=C(C=C2)CC(=O)N>CCO[H].[HH].[Pd]>Cl.C1(CCCC1)C1=CC(=C2C(=N1)CCC2)NC2=CC=C(C=C2)CC(=O)N
3
C(C)(C)(C)OC(=O)N1C(CCCC1)CN.ClC1=NC=C(C(=N1)C)C1=C(C=C(C=C1)C(F)(F)F)F>O1CCOCC1.C(C)(C)N(C(C)C)CC>FC1=C(C=CC(=C1)C(F)(F)F)C=1C(=NC(=NC1)NCC1N(CCCC1)C(=O)OC(C)(C)C)C
3
ClCCCC(=O)C1=CC=C(C=C1)F.C1CSCC=2C=CC=C3[C@H]4[C@@H](N1C23)CCNC4>>C1CSCC=2C=CC=C3[C@H]4[C@@H](N1C23)CCN(C4)CCCC(=O)C4=CC=C(C=C4)F
5
C(C)[Mg]Cl.CON(C(=O)C=1OC(=CC1)S(=O)(=O)C)C>>CS(=O)(=O)C1=CC=C(O1)C(CC)=O
5
O.O.C(C(=O)O)(=O)O.C(C)(C)(C)OC(=O)N1CC(C1)C(C1=CC(=C(C(=C1)F)F)F)F>C(C)OCC.CO[H].ClCCl.C(=O)(C(F)(F)F)O.CCO[H]>C(C(=O)O)(=O)O.FC(C1CNC1)C1=CC(=C(C(=C1)F)F)F
3
ClC=1C=CC(=C(C(=O)OC)C1)NC=1C=C2C=CN(C2=CC1)C1=CC(=CC=C1)C(F)(F)F>CCO[H].[OH-].[Na+]>ClC=1C=CC(=C(C(=O)O)C1)NC=1C=C2C=CN(C2=CC1)C1=CC(=CC=C1)C(F)(F)F
3
NCCN1CCOCC1.ClC1=C2C(=NC=C1)N(N=C2)CC2=CC=C(C=C2)OC>>COC1=CC=C(CN2N=CC3=C2N=CC=C3NCCN3CCOCC3)C=C1
5
[SH:1][C:2]1[N:3]([CH3:12])[C:4](=[O:11])[C:5]2[S:10][CH:9]=[CH:8][C:6]=2[N:7]=1.Br[CH2:14][C:15]1[CH:30]=[CH:29][C:18]([C:19]([C:21]2[CH:26]=[CH:25][C:24]([CH2:27]Br)=[CH:23][CH:22]=2)=[O:20])=[CH:17][CH:16]=1.[CH:31]1[CH:32]=[CH:33][C:34]([N:37]2[CH2:42][CH2:41][NH:40][CH2:39][CH2:38]2)=[CH:35][CH:36]=1.C(=O)([O-])[O...
1
ClC(=O)OC(=C)C.FC=1C=C(C=C(C1)C(F)(F)F)C(CC1=CC=CC=C1)(N)C1=NC=C(C=C1)OC>>FC=1C=C(C=C(C1)C(F)(F)F)C(CC1=CC=CC=C1)(C1=NC=C(C=C1)OC)NC(OC(=C)C)=O
5
N1C=C(C2=CC=CN=C12)C(C(=O)OC)=O>>N1C=C(C2=CC=CN=C12)C(C(=O)[O-])=O.[K+]
5
C[Zn]C.ClCCCCC(=O)C1=CC(=CC(=C1)OC)OC>ClCCl.[Cl-].[NH4+].[Ti](Cl)(Cl)(Cl)Cl>ClCCCCC(C)(C)C1=CC(=CC(=C1)OC)OC
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:12])[CH2:9][O:10][CH3:11])=[CH:4][CH:3]=1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH2:25](O)[CH2:26][OH:27]>C1(C)C=CC=CC=1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2([CH2:9][O:10][CH3:11])[O:27][CH2:26][CH2:25][O:12]2)=[CH:6][CH:7]=1
2
[OH:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6](NC(=O)CSCCC(OC)=O)=[CH:5][CH:4]=1.CSC1C=C[C:25]([CH2:28][OH:29])=[CH:24]C=1.BrCCC[C:34]1[CH:42]=[CH:41][CH:40]=[C:36]([C:37](N)=[O:38])[C:35]=1[C:43]([NH2:45])=[O:44].C(OCBr)(=O)C>C1COCC1.CN(C=O)C>[O:44]=[C:43]1[C:35]2[C:36](=[CH:40][CH:41]=[CH:42][CH:34]=2)[C:37](=[O:38])[N:45]1[C...
2
ClC1=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1)OS(=O)(=O)C(F)(F)F.FC=1C=C(C=CC1)C(C)N.C1(=CC=CC=C1)C1=CC=C(S1)C(C)N>>ClC1=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1)NC(C)C1=CC(=CC=C1)F
5
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[CH:11]=[CH:10][N:9]=[CH:8]1.[C:12]1([CH2:18][CH2:19][CH:20]=O)[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C1(C)C=CC(S(O)(=O)=O)=CC=1.[BH4-].[Na+]>C1(C)C=CC=CC=1>[C:12]1([CH2:18][CH2:19][CH2:20][NH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]2[CH:11]=[CH:10][N:9]=[CH:8]2)[CH:17...
1
ClC1=C2N=CN(C2=NC=N1)C1OCCCC1.NC(CC)C=1N(C(C2=C(N1)C=CS2)=O)C2=CC=CC=C2>CCO[H].C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>C1(=CC=CC=C1)N1C(=NC2=C(C1=O)SC=C2)C(CC)NC2=C1N=CN(C1=NC=N2)C2OCCCC2
3
[CH3:1][C:2]1[C:7]([C:8]2[C:16]3[O:15][CH2:14][C@@H:13]([NH:17][C:18]4[CH:30]=[CH:29][C:21]5[C@H:22]([CH2:25][C:26]([OH:28])=[O:27])[CH2:23][O:24][C:20]=5[CH:19]=4)[C:12]=3[CH:11]=[CH:10][CH:9]=2)=[C:6]([CH3:31])[N:5]=[C:4]([N:32]2[CH2:36][CH2:35][CH2:34][CH2:33]2)[N:3]=1.[OH-].[Na+:38].C(#N)C>CO>[CH3:31][C:6]1[C:7]([C...
2
BrC1=C(C(=O)Cl)C(=CC=C1)Cl.NC1=C(C=NN1C1=CC=C(C=C1)F)C(=O)NCC(C(F)(F)F)(O)CN>>NC1=C(C=NN1C1=CC=C(C=C1)F)C(=O)NCC(C(F)(F)F)(O)CNC(=O)C1=C(C=CC=C1Cl)Br
5
[N:1]([C:4]1[CH:5]=[C:6]([CH:9]=[CH:10][C:11]=1[O:12][CH3:13])[C:7]#[N:8])=[C:2]=[S:3].[CH3:14][N:15]1[C:23]2[C:18](=[C:19]([NH2:24])[CH:20]=[CH:21][CH:22]=2)[CH:17]=[CH:16]1.COC1C=CN=CC=1NC(NC1C2N=CN(C)C=2C=CC=1)=S>>[C:7]([C:6]1[CH:9]=[CH:10][C:11]([O:12][CH3:13])=[C:4]([NH:1][C:2]([NH:24][C:19]2[CH:20]=[CH:21][CH:22]...
2
I[CH2:2][C@@H:3]([CH3:16])[CH2:4][N:5]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[S:8][CH2:7][C:6]1=[O:15].[CH2:17]([CH:21]1[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1)[CH2:18][CH2:19][CH3:20]>CC#N>[CH2:17]([CH:21]1[CH2:26][CH2:25][N:24]([CH2:2][C@@H:3]([CH3:16])[CH2:4][N:5]2[C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=3[...
1
CP(=O)(C)C=1C=C2C(=CNC2=CC1)[N+](=O)[O-]>CO[H].[HH].[Pd]>CP(=O)(C)C=1C=C2C(=CNC2=CC1)N
3
Cl[C:2]1[CH:11]=[CH:10][C:5]([C:6]([NH:8][CH3:9])=[O:7])=[CH:4][N:3]=1.[C:12]1([CH3:20])[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[Mg]Cl.[NH4+].[Cl-].[CH3:23][N:24]1[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]1.[OH-].[Na+]>C1COCC1>[CH3:9][NH:8][C:6]([C:5]1[CH:10]([C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[CH3:20])[CH2:11][C:...
1
C(CCCCCCCCCCC)C1=CC=CC=C1.C(C)(C)(C)C=1C=CC=2NC3=CC=C(C=C3C2C1)C(C)(C)C.BrC=1C=CC=2N(C3=CC=CC=C3C2C1)S(=O)(=O)C1=CC=C(C)C=C1>[Cu]O[Cu]>C(C)(C)(C)C=1C=CC=2N(C3=CC=C(C=C3C2C1)C(C)(C)C)C=1C=CC=2N(C3=CC=CC=C3C2C1)S(=O)(=O)C1=CC=C(C)C=C1
3
O1CCN(CC1)CCNC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F>>NC1=CC(=C(C=C1)NC(=O)NCCN1CCOCC1)C(F)(F)F
5
NC=1C=NC=CC1N1C[C@H](C[C@H](C1)C)NC(OC(C)(C)C)=O.C(CC)C1=CC2=NC(=CC=C2O1)C(=O)O>>C[C@@H]1C[C@@H](CN(C1)C1=C(C=NC=C1)NC(=O)C1=CC=C2C(=N1)C=C(O2)CCC)NC(OC(C)(C)C)=O
5
FC=1N=C2C=CC(NC2=CC1)=O>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+].FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC1=NC2=CC=C(N=C2C=C1)F)(F)F
3
C(C1=CC=CC=C1)C1=NC=CN=C1>>BrC1(CC=CC=C1)CC1=NC=CN=C1
5
CCN(C(C)C)C(C)C.FC(F)(F)S(O[C:16]1[CH:17]=[CH:18][C:19]2[O:23][C:22]([C:24]3[CH:29]=[CH:28][C:27]([F:30])=[CH:26][CH:25]=3)=[C:21]([C:31](=[O:34])[NH:32][CH3:33])[C:20]=2[CH:35]=1)(=O)=O.[CH3:38][C:39]1[O:43][C:42]([C:44]2[CH:45]=[C:46](B(O)O)[CH:47]=[CH:48][CH:49]=2)=[N:41][N:40]=1.O1CCOCC1>C1C=CC([P]([Pd]([P](C2C=CC=...
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:10]=2[CH:11]=[C:12]([C:18](O)=[O:19])[NH:13]3)=[CH:5][CH:4]=1.Cl.Cl.Cl.[NH2:24][CH:25]1[CH2:30][CH2:29][N:28]([CH2:31][C@@H:32]([N:34]2[CH2:39][CH2:38][CH:37]([OH:40])[CH2:36][CH2:35]2)[CH3:33])[CH2:27][CH2:26]1>>[OH:40][CH:37]1[CH2:36][CH2:35]...
1
C(C)(=O)OC(C)=O.S1C(=CC=C1)CCCC(=O)O>>S1C=CC2=C1CCCC2=O
5
FC1=CC=C(CNC(=O)C2=NC(=CC(=C2OCC2=CC=CC=C2)OC)Br)C=C1>>FC1=CC=C(CNC(=O)C2=C(C(=CC(=N2)N2CCCCC2)OC)OCC2=CC=CC=C2)C=C1
5
C([O:4][C@H:5]1[C@H:11]([O:12]C(=O)C)[C@@H:10]([O:16]C(=O)C)[C@:9]2([C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[C:23]([CH2:28][C:29]4[CH:34]=[CH:33][C:32]([C:35](=[N:37][O:38][CH2:39][CH3:40])[CH3:36])=[CH:31][CH:30]=4)[CH:22]=3)[O:20][C@@:6]1([CH2:41][O:42]C(=O)C)[CH2:7][O:8]2)(=O)C.CO.O.O.[OH-].[Li+]>C1COCC1>[CH2:39]([O:3...
2
CNCC(C1C=CC(OC)=C(OC)C=1)C.BrCCC[N:20]1[C:24](=[O:25])[C:23]2=[CH:26][CH:27]=[CH:28][CH:29]=[C:22]2[C:21]1=[O:30].C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[C:24]1(=[O:25])[NH:20][C:21](=[O:30])[C:22]2=[CH:29][CH:28]=[CH:27][CH:26]=[C:23]12
1
Br[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].C([O-])([O-])=O.[K+].[K+].[CH2:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH2:17][NH:16][CH2:15]1.O(CC)CC.[ClH:29]>C(#N)C.CCOCC>[ClH:29].[CH:17]1([CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4])[C:18]2[C:23](=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH2:14][CH2:15][NH:16]1
1
FC=1C=C(OC(C(=O)O)(C)C)C=CC1F.Cl.C1S(CC12CCNCC2)(=O)=O>ClCCl.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>FC=1C=C(OC(C(=O)N2CCC3(CS(C3)(=O)=O)CC2)(C)C)C=CC1F
3
[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6](Cl)=[O:7])=[CH:4][CH:3]=1.Cl.[NH2:12][C:13]1[CH:19]=[CH:18][C:16]([OH:17])=[CH:15][C:14]=1O.[OH-].[Na+].C1COCC1>CO.O>[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]2[O:7][C:14]3[CH:15]=[C:16]([OH:17])[CH:18]=[CH:19][C:13]=3[N:12]=2)=[CH:4][CH:3]=1
1
[C:1]([C:3]1[N:8]=[CH:7][C:6]([C:9]2[N:13]3[N:14]=[CH:15][CH:16]=[C:17]([N:18]4[CH2:23][CH2:22][O:21][CH2:20][CH2:19]4)[C:12]3=[N:11][C:10]=2[C:24]([O:26][CH2:27][CH3:28])=[O:25])=[CH:5][CH:4]=1)#[N:2].[NH4+].[Cl-].[N-:31]=[N+:32]=[N-:33].[Na+]>>[NH:31]1[C:1]([C:3]2[N:8]=[CH:7][C:6]([C:9]3[N:13]4[N:14]=[CH:15][CH:16]=[...
1
[N+](=O)([O-])C1=CC=C(C=C1)SC1=NN=C2N1C=CC=C2>CCO[H].Cl.O.O.[Sn](Cl)(Cl)(Cl)Cl>N=1N=C(N2C1C=CC=C2)SC2=CC=C(N)C=C2
3
C(NC(C)C)(C)C.C([Li])CCC.[CH3:13][C:14]1([CH3:21])[CH2:19][CH2:18][CH2:17][CH2:16][C:15]1=[O:20].[C:22](C#N)(=[O:26])[O:23][CH2:24][CH3:25]>CCOCC.O.CN(C)P(N(C)C)(N(C)C)=O>[OH:20][C:15]1[C:14]([CH3:21])([CH3:13])[CH2:19][CH2:18][CH2:17][C:16]=1[C:22]([O:23][CH2:24][CH3:25])=[O:26]
1
COC(OC)=O.C1(=CC=CC2=CC=CC=C12)CC#N>CO[H].[Na]>C1(=CC=CC2=CC=CC=C12)C(C#N)C(=O)OC
3
[CH3:1][N:2]([CH3:23])[CH2:3][CH2:4][NH:5][C:6]1[CH:7]=[C:8]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([NH2:19])[C:14]=2[N+:20]([O-])=O)[CH:9]=[C:10]([F:12])[CH:11]=1>CO.[Pd]>[CH3:1][N:2]([CH3:23])[CH2:3][CH2:4][NH:5][C:6]1[CH:7]=[C:8]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([NH2:19])[C:14]=2[NH2:20])[CH:9]=[C:10]([F:12])[CH:1...
2
[NH2:1][C:2]1[C:3]([F:26])=[CH:4][C:5]([F:25])=[C:6]([N:8]2[C:17]3[C:12](=[CH:13][C:14]([F:20])=[C:15](F)[C:16]=3[Cl:18])[C:11](=[O:21])[C:10]([C:22]([OH:24])=[O:23])=[CH:9]2)[CH:7]=1.[CH2:27]([CH2:29][NH2:30])[OH:28]>N1C=CC=CC=1>[CH2:27]([CH2:29][NH2:30])[OH:28].[NH2:1][C:2]1[C:3]([F:26])=[CH:4][C:5]([F:25])=[C:6]([N:...
1
[CH:1]([CH:3]1[CH2:8][CH2:7][CH:6]([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH2:5][CH2:4]1)=O.[CH3:14][C:15](C)([O-])C.[K+].O.Cl>C1COCC1.[Br-].C([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C>[CH:1]([CH:3]1[CH2:8][CH2:7][CH:6]([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH2:5][CH2:4]1)=[CH:14][CH3:15]
1
C[C@@H]1CN(CCN1C=1C2=C(N=C(N1)C1=C3C(=CN(C3=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1)C)CCN(C2)C2=C(C=CC(=C2)C2(COC2)C)C)C(C)=O>>C[C@@H]1CN(CCN1C=1C2=C(N=C(N1)C1=C3C(=CNC3=CC=C1)C)CCN(C2)C2=C(C=CC(=C2)C2(COC2)C)C)C(C)=O
5
[C:1]([O:5][C:6](=[O:32])[CH2:7][N:8](S(C1C=CC(OCC2C=CC=CC=2)=CC=1)(=O)=O)[CH2:9][CH2:10][CH2:11][C:12](=[O:14])[CH3:13])([CH3:4])([CH3:3])[CH3:2].CC(C)([O-])C.[K+].Cl>O1CCCC1.O>[C:1]([O:5][C:6]([CH:7]1[C:12]([OH:14])([CH3:13])[CH2:11][CH2:10][CH2:9][NH:8]1)=[O:32])([CH3:4])([CH3:3])[CH3:2]
1
FC1=CC=C(C2=C1C(=C(O2)\C=N/[S@@](=O)C(C)(C)C)C)F>O.C1CCCO1.C[Si](C(F)(F)F)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)[Si-](C2=CC=CC=C2)(C3=CC=CC=C3)(F)F>FC1=CC=C(C2=C1C(=C(O2)[C@H](C(F)(F)F)N[S@@](=O)C(C)(C)C)C)F
3
F[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[N:3]=1.[CH3:9][CH:10]([CH3:13])[C:11]#[N:12].C[Si](C)(C)[N-][Si](C)(C)C.[K+]>C1(C)C=CC=CC=1>[CH3:9][C:10]([C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[N:3]=1)([CH3:13])[C:11]#[N:12]
2
OC=1C=NC=CC1.C(CCCCCCCCCCCCCCC)NC1=CC=C(C(=O)O)C=C1>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.[H-].[Na+]>C(CCCCCCCCCCCCCCC)NC1=CC=C(C(=O)OC=2C=NC=CC2)C=C1
3
[Cl-].[CH3:2][O:3][CH2:4][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CC(C)([O-])C.[K+].[CH3:30][O:31][C:32]1[CH:37]=[CH:36][C:35]([S:38]([C:41]2[CH:48]=[CH:47][C:44]([CH:45]=O)=[CH:43][CH:42]=2)(=[O:40])=[O:39])=[CH:34][CH:33]=1.O>O1CCCC1>[CH3:30][O:31][C:32]1[CH:37]=[CH:36][C:35]([S:38]([C:41]2[CH:48]=[CH:47][C:44]([CH:...
2
CN(C1=CC=C(C=C1)C=1N=C2N(C=C(C(=C2)C)CCO)C1)C>ClCCl.C(C)N(CC)S(F)(F)F>CN(C1=CC=C(C=C1)C=1N=C2N(C=C(C(=C2)C)CCF)C1)C
3
C(C)(C)(C)OC(=O)NC(C(=O)O)(C(=O)O)C>ClCCl.C(=O)(C(F)(F)F)O>NC(C(=O)O)(C(=O)O)C
3
Br[C:2]1[CH:33]=[CH:32][C:5]([CH2:6][CH:7]2[C:16]3[C:11](=[CH:12][C:13]([O:17][CH2:18][C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=4)=[CH:14][CH:15]=3)[CH2:10][CH2:9][N:8]2[C:25]2[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=2)=[CH:4][CH:3]=1.[NH:34]1[CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]1.C1(C)C=CC=CC=1.CC([O-])(C)C....
1