Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[NH2:1][C:2]1[CH:13]=[CH:12][C:5]2[C:6](=O)[NH:7][S:8](=[O:10])(=[O:9])[C:4]=2[CH:3]=1.C([O-])(O)=O.[Na+].CCOC(C)=O>Cl.CO.[Zn]>[O:9]=[S:8]1(=[O:10])[C:4]2[CH:3]=[C:2]([NH2:1])[CH:13]=[CH:12][C:5]=2[CH2:6][NH:7]1
1
C(C=C)N1N(C2=NC(=NC=C2C1=O)SC)C1=CC=CC(=N1)N1C(C=CC=C1)=O>>CSC1=NC=C2C(=N1)N(NC2=O)C2=CC=CC(=N2)N2C(C=CC=C2)=O
5
FC(C=1NC(=C(C(C1C(=O)OCC)CC)C(=O)OCC)C(F)(F)F)(F)F>C1CCCO1.Cl.C1CCC2=NCCCN2CC1>FC(C1=NC(=C(C(=C1C(=O)OCC)CC)C(=O)OCC)C(F)(F)F)F
3
[C:1]([NH:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([OH:12])=[O:11])(=[O:3])[CH3:2].S(Cl)(Cl)=O.[CH3:17]N.[Cl-].[Na+]>CO>[C:1]([NH:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([O:12][CH3:17])=[O:11])(=[O:3])[CH3:2]
1
CB(O)O.BrC1=C(C=C2C(=C(C(=NC2=C1F)Cl)C#N)N1CCN(CC1)C(=O)OC(C)(C)C)Cl>O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.COCCOC.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]>BrC1=C(C=C2C(=C(C(=NC2=C1F)C)C#N)N1CCN(CC1)C(=O)OC(C)(C)C)Cl
3
NC1=CC=CC=C1.N1=C2C(=CC=C1)C(=O)OC2=O>C1CCCO1>C1(=CC=CC=C1)N1C(C2=NC=CC=C2C1=O)=O
3
[C:1]1([P:7](=[O:12])([O:10][CH3:11])OC)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Cl:13][C:14](=[CH2:19])[C:15]([O:17][CH3:18])=[O:16].C1(O)C=CC=CC=1>>[C:1]1([P:7]([O:10][CH3:11])([CH2:19][CH:14]([Cl:13])[C:15]([O:17][CH3:18])=[O:16])=[O:12])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
1
[OH:1][CH:2]1[O:26][C:10]2=[CH:11][C:12]([O:14][CH:15]([CH2:17][CH2:18][CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH3:16])=[CH:13][C:8]3=[C:9]2[CH:4]([CH2:5][C:6]([CH3:28])([CH3:27])[O:7]3)[CH2:3]1.[CH2:29](O)C.CON>N1C=CC=CC=1>[CH3:29][O:1][CH:2]1[O:26][C:10]2=[CH:11][C:12]([O:14][CH:15]([CH2:17][CH2:18][C...
1
BrC1=CC=C(C=C1)S(=O)(=O)N.C(#N)C1=CC=C(N1C)B(O)O>>C(#N)C1=CC=C(N1C)C1=CC=C(C=C1)S(=O)(=O)N
5
[Cl:1][C:2]1[C:14]2[C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[C:7](=[O:15])[C:6]=2[CH:5]=[C:4]([O:16]C)[CH:3]=1.CN1CCCC1=O.Cl.N1C=CC=CC=1>O>[Cl:1][C:2]1[C:14]2[C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[C:7](=[O:15])[C:6]=2[CH:5]=[C:4]([OH:16])[CH:3]=1
1
C([O:5][C@H:6]1[CH2:10][N:9]([C:11](=[O:19])[CH2:12][C:13]2[O:17][N:16]=[C:15]([CH3:18])[CH:14]=2)[C@H:8]([C:20]([OH:22])=[O:21])[CH2:7]1)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[OH:5][C@H:6]1[CH2:10][N:9]([C:11](=[O:19])[CH2:12][C:13]2[O:17][N:16]=[C:15]([CH3:18])[CH:14]=2)[C@H:8]([C:20]([OH:22])=[O:21])[CH2:7]1
2
NC1=NC2=C3C(=CC=C2C=2N1N=C(N2)CO)OC(O3)(F)F>>Cl.ClCC1=NN2C(=NC3=C4C(=CC=C3C2=N1)OC(O4)(F)F)N
5
BrCCO.ClS(=O)(=O)N=C=O.[Si](C)(C)(C(C)(C)C)OC=1C=CC(=NC1)N>ClCCl.CCN(CC)CC>[Si](C)(C)(C(C)(C)C)OC=1C=CC(=NC1)NS(=O)(=O)N1C(OCC1)=O
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.[CH2:9](Br)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH2:9]([O:8][C:5]1[CH:6]=[CH:7][C:2]([Br:1])=[CH:3][CH:4]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1
1
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][C@@H:7]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C@@H:8]1[CH2:13][CH2:12][CH2:11][N:10]([C:14](OC(C)(C)C)=[O:15])[CH2:9]1.O1CCOCC1.N1C=CC=CC=1.[Cl:39]C(Cl)(OC(=O)OC(Cl)(Cl)Cl)Cl>Cl.C(Cl)Cl>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][C@@H:7]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][...
1
[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([CH3:9])[CH:3]=1.[N:10]([O-])=O.[Na+].[ClH:14]>O>[ClH:14].[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][NH2:10])=[C:4]([CH3:9])[CH:3]=1
1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[CH2:16][CH2:15][C:14]([CH2:18][NH:19][CH3:20])([OH:17])[CH2:13][CH2:12]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.C(N(CC)CC)C.[Cl:28][CH2:29][C:30](Cl)=[O:31]>ClCCl>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[CH2:12][CH2:13][C:14]([CH2:18][N:19]([CH3:20])[C:30](=[O:31])[CH2:29][Cl:2...
2
C[C@H]1N([C@@H](CC1)C)CC1=C(C=CC(=C1)C(=O)OC)C1=C(C=CC(=C1)OC)F>>C[C@H]1N([C@@H](CC1)C)CC1=C(C=CC(=C1)CO)C1=C(C=CC(=C1)OC)F
5
CN(CC#CC1=CC=C(C=C1)S(=O)(=O)NCC1=CC=C(C(=O)NC=2C=NC=CC2)C=C1)C>>CN(CCCC1=CC=C(C=C1)S(=O)(=O)NCC1=CC=C(C(=O)NC=2C=NC=CC2)C=C1)C
5
CC1=NNC(=C1C)NC1=CC=NC2=CC=C(C=C12)SC1CCOCC1>>CC1=NNC(=C1C)NC1=CC=NC2=CC=C(C=C12)S(=O)C1CCOCC1
5
O=C1C(CCC1)C(=O)OC>>SC=1N=C(C2=C(N1)CCC2)O
5
S1C=C(C=C1)B(O)O.BrC=1N=C(N(C1)C)CCC1=NC2=CC=CC=C2C=C1>>CN1C(=NC(=C1)C1=CSC=C1)CCC1=NC2=CC=CC=C2C=C1
5
C(C)OC=1C(C(C1OCC)=O)=O.Cl.COC([C@@H](N)CC1=CC=CC=C1)=O>CCN(CC)CC.CCO[H]>COC([C@@H](NC1=C(C(C1=O)=O)OCC)CC1=CC=CC=C1)=O
3
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.FC(C=1C=C(C=C(C1)C(F)(F)F)[C@H]([C@H](C)NCC1=C(C=CC(=C1)C(F)(F)F)C1=C(C=CC(=C1)C(C)C)OC)N)(F)F>>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@H]1NC(N([C@H]1C)CC1=C(C=CC(=C1)C(F)(F)F)C1=C(C=CC(=C1)C(C)C)OC)=O)(F)F
5
[H-].[Na+].[NH2:3]/[C:4](/[C:11]([F:14])([F:13])[F:12])=[CH:5]\[C:6]([O:8]CC)=O.[Cl:15][C:16]1[C:21]2[O:22][C:23]([CH3:26])([CH3:25])[O:24][C:20]=2[C:19]([N:27]=[C:28]=[O:29])=[C:18]([F:30])[CH:17]=1.[C:31](=O)([O-])[O-].[K+].[K+].CI>O.O1CCCC1>[Cl:15][C:16]1[C:21]2[O:22][C:23]([CH3:26])([CH3:25])[O:24][C:20]=2[C:19]([N...
1
FC=1C(=C(C(=O)NOCCO)C=C(C1F)/C=N/OCCC(NC)=O)NC1=C(C=C(C=C1)I)F>ClCCl.ClC(C(=O)O)Cl>FC=1C(=C(C(=O)NOCCO)C=C(C1F)CN1OCCC1=O)NC1=C(C=C(C=C1)I)F
3
NC1=C(C=C(C=C1)Cl)C(=O)C1=C(C(=CC=C1)OC)OCC>>NC1=C(C=C(C=C1)Cl)C(O)C1=C(C(=CC=C1)OC)OCC
5
C(C1=CC=CC=C1)OC1=C(C(=O)NCCC(=O)OC)C(=CC=C1)C(C(C(C)C)=O)C1=CC(=C(C=C1)F)F>ClCCl.O=S(=O)(O)C>C(C1=CC=CC=C1)OC=1C=CC=C2C(=C(N(C(C12)=O)CCC(=O)OC)C(C)C)C1=CC(=C(C=C1)F)F
3
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([O:14][CH3:15])=[O:13].[CH3:16][CH:17]1[O:22][CH:21]([CH3:23])[CH2:20][NH:19][CH2:18]1.C(N(CC)CC)C>C1(C)C=CC=CC=1>[CH3:23][CH:21]1[O:22][CH:17]([CH3:16])[CH2:18][N:19]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11...
1
BrC1CC(CCC1=O)NC(OC(C)(C)C)=O>CC#N.C(C)(C)N(C(C)C)CC.NC(=S)N>NC=1SC2=C(N1)CCC(C2)NC(OC(C)(C)C)=O
4
CC1(OC(=O)CC(=O)O1)C.ClC=1C=C(C=CC1C#N)N[C@@H](C(C)C)C(=O)O>C1CCCO1.C1(=CC=NC=C1)N(C)C.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC1=C(C#N)C=CC(=C1)N1C(C(=CC1=O)O)C(C)C
3
COC(C=1C(C(=O)OC)=C(C=CC1)NC1=CC(=CC=C1)OC)=O>>COC=1C=C(C=CC1)NC1=C(C(C(=O)O)=CC=C1)C(=O)O
5
[CH3:1][C:2]1[C:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][O:19][CH3:20])=[C:13]([CH:21]([CH3:23])[CH3:22])[CH:12]=2)=[C:8]([CH3:24])[CH:7]=[C:6]([OH:25])[C:3]=1[CH2:4]O>C(OCC)(=O)C.C(O)(=O)C.[Pd]>[CH3:20][O:19][CH2:18][O:17][C:14]1[CH:15]=[CH:16][C:11]([CH2:10][C:9]2[C:8]([CH3:24])=[CH:7][C:6]([OH:25])=[C:...
1
[Cl:1][C:2]1[C:3]([O:11][CH3:12])=[CH:4][C:5]([O:9][CH3:10])=[C:6]([CH:8]=1)[NH2:7].[Br:13][CH2:14][C:15](Br)=[O:16]>C(Cl)Cl.O>[Br:13][CH2:14][C:15]([NH:7][C:6]1[CH:8]=[C:2]([Cl:1])[C:3]([O:11][CH3:12])=[CH:4][C:5]=1[O:9][CH3:10])=[O:16]
1
CC1(C)C(C)(C)[O:5][B:4]([C:9]2[CH:27]=[CH:26][C:12]([CH2:13][O:14][C:15]3[CH:25]=[CH:24][C:18]4[N:19]=[C:20]([C:22]#[N:23])[S:21][C:17]=4[CH:16]=3)=[CH:11][CH:10]=2)[O:3]1.I([O-])(=O)(=O)=O.[Na+].C([O-])(=O)C.[NH4+]>CC(C)=O.O>[C:22]([C:20]1[S:21][C:17]2[CH:16]=[C:15]([O:14][CH2:13][C:12]3[CH:26]=[CH:27][C:9]([B:4]([OH:...
1
C(N(CC)CC)C.C(O[C@H:12]1[NH:15][C:14](=[O:16])[C@@H:13]1[C@H:17]([C:23]([CH3:26])([CH3:25])[CH3:24])[CH2:18][O:19][SiH:20]([CH3:22])[CH3:21])(=O)C.[N+:27](=[C:29]([C:36](=[O:38])[CH3:37])[C:30]([O:32][CH2:33][CH:34]=[CH2:35])=[O:31])=[N-:28].FC(F)(F)S(O[Si](C)(C)C)(=O)=O>ClCCl>[C:23]([C@@H:17]([C@H:13]1[C@@H:12]([CH2:3...
1
C(O[CH:4](OCC)[CH2:5][CH2:6][CH:7]([NH2:12])[CH2:8][CH2:9][CH2:10][CH3:11])C.Cl.[CH2:17]([O:19][C:20](=[O:30])[CH2:21][C:22](=[O:29])[CH2:23][C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH3:18].[CH:31](=O)[CH3:32].C(=O)([O-])[O-].[Na+].[Na+]>C(O)C>[CH3:31][CH:32]1[CH:23]([C:24]([O:26][CH2:27][CH3:28])=[O:25])[C:22](=[O:29])[...
1
COC1=C(N)C=CC(=C1)OC>C1CCCO1.C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.[Br-].[In+3].[Br-].[Br-]>C(C)(C)(C)OC(NC1=C(C=C(C=C1)OC)OC)=O
3
[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[C:3]=1[N+:9]([O-:11])=[O:10].OS(O)(=O)=O.II.[I:19](O)(=O)(=O)=O>O.C(O)(=O)C>[I:19][C:6]1[CH:5]=[C:4]([CH3:8])[C:3]([N+:9]([O-:11])=[O:10])=[C:2]([CH3:1])[CH:7]=1
1
CI.CS(=O)(=O)CCC(=O)NC1=CC2=C(C=N1)N=C(S2)C=2C=NC=CC2>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>CN(C(CCS(=O)(=O)C)=O)C1=CC2=C(C=N1)N=C(S2)C=2C=NC=CC2
3
[NH:1]1[C:9]2[C:4](=[CH:5][C:6]([C:10]3[C:18]4[C:13](=[N:14][CH:15]=[C:16]([C:19]5[CH:38]=[CH:37][C:22]([CH2:23][N:24]6[CH2:29][CH2:28][N:27](C(OC(C)(C)C)=O)[CH2:26][CH2:25]6)=[CH:21][CH:20]=5)[CH:17]=4)[NH:12][CH:11]=3)=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.C(O)(C(F)(F)F)=O>ClCCl>[NH:1]1[C:9]2[C:4](=[CH:5][C:6]([C:10]3[C:18]4...
1
ClC1=C(C=CC(=C1)I)NC(=O)NC1=C(N(C=N1)C)C(=O)OCC>>ClC1=C(C=CC(=C1)I)N1C(NC=2N=CN(C2C1=O)C)=O
5
[H-].[H-].[H-].[H-].[Li+].[Al+3].C[C:8]([N:11]([C@H:15]([CH3:23])[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)C(=O)[O-])(C)C>C1COCC1>[CH3:8][NH:11][C@H:15]([CH3:23])[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1
1
C(CCCCCCCCCCCCCCCCC)N.Cl.OC1[C@H](N)[C@@H](O)[C@H](O)[C@H](O1)CO>O.C(C)(C)O>Cl.C(CCCCCCCCCCCCCCCCC)NC1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)N
3
NN1C=NC(=C2N3C(N=C12)NC(N3C)=O)C=3OC=CC3.CS(=O)(=O)OCC1CN(CC1)C1=CC=C(C=C1)OC>>NN1C=NC(=C2N3C(N=C12)N(C(N3C)=O)CC3CN(CC3)C3=CC=C(C=C3)OC)C=3OC=CC3
5
[CH2:1]([C@H:3]1[CH2:8][O:7][CH2:6][C@H:5]([CH3:9])[N:4]1C(OC(C)(C)C)=O)[CH3:2]>Cl.CO>[CH2:1]([C@H:3]1[CH2:8][O:7][CH2:6][C@H:5]([CH3:9])[NH:4]1)[CH3:2]
1
[N:1]1([C:7]2[N:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]3[CH:15]=[C:16]([CH2:20][S:21]([NH2:24])(=[O:23])=[O:22])[CH:17]=[CH:18][CH:19]=3)[N:8]=2)[CH2:6][CH2:5]C[CH2:3][CH2:2]1.ClC1N=CN=C(NC2C=C(CS(N)(=O)=O)C=CC=2)[N:27]=1.N1CCNCC1>>[N:1]1([C:7]2[N:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]3[CH:15]=[C:16]([CH2:20][S:21]([NH2:2...
1
C1(CCCCC1)CCO.OC=1C=C(OC2CCN(CC2)C(=O)NC2=NC=CN=C2)C=CC1>>C1C(CCCC1)C=1C=C(OC2CCN(CC2)C(=O)NC2=NC=CN=C2)C=CC1
5
[N+](=O)([O-])C.C1(CCCC1)C(=O)Cl.FC=1C=CC2=C(C(=CO2)C)C1>[Al](Cl)(Cl)Cl>C1(CCCC1)C(=O)C=1OC2=C(C1C)C=C(C=C2)F
3
C(C1=CC=CC=C1)SCC1=C(SC(=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)OCC>>C(C1=CC=CC=C1)SCC1=C(SC(=C1)C1=CC=C(C=C1)C(F)(F)F)CO
5
COC([C@H](CNC(=O)OC(C)(C)C)NC(=O)C=1SC(=CC1Cl)C(NCC1=CC(=CC=C1)O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.COC([C@H](CN)NC(=O)C=1SC(=CC1Cl)C(NCC1=CC(=CC=C1)O)=O)=O
3
[CH3:1][O:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][C:12]([OH:14])=O)=[CH:7][CH:6]=1)=[O:4].C(Cl)(=O)C([Cl:18])=O>ClCCl.CN(C)C=O>[Cl:18][C:12](=[O:14])[CH2:11][C:8]1[CH:9]=[CH:10][C:5]([C:3]([O:2][CH3:1])=[O:4])=[CH:6][CH:7]=1
1
FC(F)(F)C([NH:5][C@H:6]([CH3:28])[CH2:7][C:8]1[CH:13]=[CH:12][C:11]([S:14]([C:17]2[CH:27]=[CH:26][C:20]([C:21]([O:23][CH2:24][CH3:25])=[O:22])=[CH:19][CH:18]=2)(=[O:16])=[O:15])=[CH:10][CH:9]=1)=O.[OH-].[Na+]>C(O)C>[NH2:5][C@H:6]([CH3:28])[CH2:7][C:8]1[CH:9]=[CH:10][C:11]([S:14]([C:17]2[CH:18]=[CH:19][C:20]([C:21]([O:2...
2
ClC(=O)OC.Cl.Cl.N1CCC(CC1)NC(=O)NC=1N=C2C(=NC1)N(C=C2)COCC[Si](C)(C)C>>COC(=O)N1CCC(CC1)NC(=O)NC=1N=C2C(=NC1)N(C=C2)COCC[Si](C)(C)C
5
[F:1][C:2]1[CH:3]=[C:4](I)[CH:5]=[CH:6][C:7]=1[F:8].C[CH2:11][O:12][CH2:13][CH3:14]>[Ni]>[F:1][C:2]1[CH:3]=[C:4]([C:2]2[CH:3]=[CH:14][C:13]([O:12][CH3:11])=[CH:6][CH:7]=2)[CH:5]=[CH:6][C:7]=1[F:8]
1
C(=O)([O-])[O-].[K+].[K+].CN(C)CCN(C)C.I[C:16]1[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=1.[NH:22]1[CH2:26][CH2:25][CH2:24][C:23]1=[O:27]>[Cu]I.O1CCOCC1>[N:18]1[CH:19]=[CH:20][CH:21]=[C:16]([N:22]2[CH2:26][CH2:25][CH2:24][C:23]2=[O:27])[CH:17]=1
2
[C@H]1(CC[C@H](CC1)O)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>OC1CCC(CC1)OS(=O)(=O)C1=CC=C(C=C1)C
3
NCCCN1C=NC=C1.BrC=1SC(=CN1)C(=O)O>ClCCl.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>N1(C=NC=C1)CCCNC(=O)C1=CN=C(S1)Br
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([OH:22])[C:9](=[O:21])[N:10]2[CH2:16][C:15]3([CH3:18])[CH2:17][CH:11]2[CH2:12][C:13]([CH3:20])([CH3:19])[CH2:14]3)=[C:4]([F:23])[CH:3]=1.[CH3:24]N(C)C=O.[H-].[Na+].CI.Cl>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([O:22][CH3:24])[C:9]([N:10]2[CH2:16][C:15]3([CH3:18])[CH2:17][CH:11]2[CH2...
2
[H-].[Al+3].[Li+].[H-].[H-].[H-].S(C1C=CC(C)=CC=1)(O[CH2:11][CH:12]([CH3:23])[CH:13]([OH:22])[CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[F:21])(=O)=O.O.O.O.O.O.O.O.O.O.O.[O-]S([O-])(=O)=O.[Na+].[Na+]>C1COCC1>[F:21][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=1[CH2:14][CH:13]([OH:22])[CH:12]([CH3:11])[CH3:23]
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:13]3[C:14]([NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]([O:26]C(C)(C)C)=[O:25])=[N:15][CH:16]=[CH:17][C:12]=3[O:11][C:10]=2[C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[CH:5][CH:4]=1.FC(F)(F)C(O)=O>ClCCl>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]2[C:13]3[C:14]([...
2
C([O:8][C:9]1[C:10]([CH3:33])=[CH:11][C:12]([F:32])=[C:13]([CH:31]=1)[NH:14][C:15]1[C:24]2[C:19](=[CH:20][C:21]([O:27][CH2:28][CH2:29][OH:30])=[C:22]([O:25][CH3:26])[CH:23]=2)[N:18]=[CH:17][N:16]=1)C1C=CC=CC=1.[H][H]>[Pd].C(OCC)(=O)C>[F:32][C:12]1[CH:11]=[C:10]([CH3:33])[C:9]([OH:8])=[CH:31][C:13]=1[NH:14][C:15]1[C:24]...
1
ClC(=O)OC.COC=1C=C2C=CC=[N+](C2=CC1)[O-].C(C1=CC=C(C=C1)OC)[Mg]Br>>COC=1C=C2C=CC(=NC2=CC1)C1=CC=C(C=C1)OC
5
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][SH:13].[H-].[Na+].Br[CH2:17][CH2:18][CH2:19][OH:20]>CN(C)C=O>[CH2:12]([S:13][CH2:17][CH2:18][CH2:19][OH:20])[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1]
1
Cl[C:2]1[C:7]([Cl:8])=[CH:6][C:5]([O:9][CH2:10][CH:11]([O:15][CH2:16][CH3:17])[O:12][CH2:13][CH3:14])=[CH:4][N:3]=1.CC(C)([O-])C.[K+].[CH3:24][O:25][C:26]1[N:31]=[C:30]2[S:32][C:33]([NH:35][C:36]3[C:45]4[C:40](=[CH:41][CH:42]=[C:43]([OH:46])[CH:44]=4)[N:39]=[CH:38][N:37]=3)=[N:34][C:29]2=[CH:28][CH:27]=1.[Cl-].[NH4+]>C...
1
[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][C:7]1[CH:12]=[CH:11][C:10]([C@H:13]2[C@H:18]([O:19][CH2:20]COS(C3C=CC(C)=CC=3)(=O)=O)[CH2:17][N:16]([C:33]([O:35][CH2:36][C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=3)=[O:34])[CH2:15][C@@H:14]2[O:43][CH2:44][C:45]2[CH:46]=[CH:47][C:48]3[O:53][CH2:52][CH2:51][N:50]([CH2:54][CH2:55...
2
COC(CNC(C(=O)OCC)C1=C(C=CC(=C1)C)F)OC>>C(C)(=O)N(CC(OC)OC)C(C(=O)OCC)C1=C(C=CC(=C1)C)F
5
Cl.[Br:2][C:3]1[CH:4]=[C:5]2[C:15](=[CH:16][CH:17]=1)[O:14][C:8]1([CH2:13][CH2:12][CH2:11][O:10][CH2:9]1)[CH2:7][C:6]2=[N:18]S(C(C)(C)C)=O>O1CCOCC1>[Br:2][C:3]1[CH:4]=[C:5]2[C:15](=[CH:16][CH:17]=1)[O:14][C:8]1([CH2:13][CH2:12][CH2:11][O:10][CH2:9]1)[CH2:7][C:6]2=[NH:18]
1
[C:1]([O:5][C:6]([NH:8][CH2:9][C@H:10]1[CH2:15][CH2:14][C@H:13]([C:16]([NH:18][C@@H:19]([CH2:23][C:24]2[CH:29]=[CH:28][C:27]([C:30]3[CH:35]=[CH:34][C:33]([C:36](=[O:51])[NH:37][CH:38]4[CH2:43][CH2:42][N:41]([C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])[CH2:40][CH2:39]4)=[CH:32][C:31]=3[CH3:52])=[CH:26][CH:25...
2
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=1.FC(F)(F)C(O)=[O:12].OO>O>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N+:3]=1[O-:12]
2
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[N:9]([CH2:20][CH:21]([CH3:23])[CH3:22])[S:10]([C:13]1[CH:18]=[CH:17][C:16](F)=[CH:15][CH:14]=1)(=[O:12])=[O:11].[F:24][C:25]([F:36])([F:35])[CH2:26][N:27]1[CH2:32][CH2:31][CH:30]([CH2:33][OH:34])[CH2:29][CH2:28]1.[H-].[Na+]>CS(C)=O>[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8]...
1
BrC1=CC2=C(N(C(O2)=O)CCCCCl)C=C1>[OH-].[Na+].N1CCCCC1>BrC1=CC2=C(N(C(O2)=O)CCCCN2CCCCC2)C=C1
3
OCC1=NC=CC=C1.ClC=1C2=C(N=C(N1)N1CCOCC1)N(CC2)C2=CC=CC=C2>O.C1CCCO1.[H-].[Na+]>C1(=CC=CC=C1)N1CCC2=C1N=C(N=C2OCC2=NC=CC=C2)N2CCOCC2
3
C(C)(C)(C)OC(=O)NC(C(=O)O)C=1SC=CC1.NC1=NC=CC=C1C(=O)C1=CC=C(C=C1)F>ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>FC1=CC=C(C(=O)C=2C(=NC=CC2)NC(C(C=2SC=CC2)NC(OC(C)(C)C)=O)=O)C=C1
3
C1(=CCCC1)C=1C=CC(=NC1)C(=O)O>>C1(CCCC1)C=1C=CC(=NC1)C(=O)O
5
[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([NH:7][C:8]([C:10]2[CH:20]=[C:19]([OH:21])[C:13]3[CH2:14][C:15]([CH3:18])([CH3:17])[O:16][C:12]=3[CH:11]=2)=[O:9])=[N:3]1.Br[C:23]1[CH:28]=[CH:27][C:26]([CH:29]([F:31])[F:30])=[CH:25][CH:24]=1.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C.[Cu]I>[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([NH:7][C:8]([C:10]2[...
1
Cl[C:2]1[N:7]=[C:6]([Cl:8])[C:5]([C:9]([F:12])([F:11])[F:10])=[CH:4][N:3]=1.[CH:13]([C@H:16]1[NH:21][CH2:20][CH2:19][N:18]2[C:22]3[CH:28]=[C:27]([S:29]([CH3:32])(=[O:31])=[O:30])[C:26]([C:33]([O:35][CH3:36])=[O:34])=[CH:25][C:23]=3[N:24]=[C:17]12)([CH3:15])[CH3:14]>ClCCCl.CC(O)(C)C.[Cl-].[Cl-].[Zn+2]>[Cl:8][C:6]1[C:5](...
1
NCCCN1CCOCC1.ClC=1C=C2C=C(NC2=CC1)C(=O)NC(C(=O)O)CC1=CC=CC=C1>>N1(CCOCC1)CCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C=1NC2=CC=C(C=C2C1)Cl
3
C(C)OC(=O)C1(CC1)C1=CC=C(C=C1)C1=C(C=C(C=C1)C=1SC(=CC1NC(=O)O[C@H](C)C=1SC=CC1)F)OC>>FC1=CC(=C(S1)C1=CC(=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(=O)O)OC)NC(=O)O[C@H](C)C=1SC=CC1
5
NC1=NC(=C(C(=N1)Cl)C=O)Cl.C(C)(C)(C)OC(=O)N1CCC(CC1)NNC(=O)OC(C)(C)C>C1(=CC=CC=C1)C.C1CCCO1.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N1CCC(CC1)N1N=CC=2C1=NC(=NC2Cl)N
3
CC1C=CN=C(C2O[C:10]3[CH2:11][N:12]([C:17]4[CH:18]=[C:19]([CH:22]=[CH:23][CH:24]=4)[C:20]#[N:21])[CH2:13][CH2:14][C:15]=3N=2)C=1.[N:25]1[CH:30]=[CH:29][C:28]([C:31]2[O:32][C:33]3[CH2:38][CH2:37][N:36]([C:39]([O:41][CH2:42][C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=4)=[O:40])[CH2:35][C:34]=3[N:49]=2)=[CH:27][CH:26]=1.C...
2
I[CH2:2][C:3]1[CH2:4][S:5][C@@H:6]2[C@H:26]([NH:27][C:28](=[O:58])[C:29](=[N:55][O:56][CH3:57])[C:30]3[N:31]=[C:32]([NH:35]C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[S:33][CH:34]=3)[C:25](=[O:59])[N:7]2[C:8]=1[C:9]([O:11]C(C1C=CC=CC=1)C1C=CC=CC=1)=[O:10].[SH:60][C:61]1[S:62][C:63]([C:66]2[CH:71]=[CH:70][C:69]([O:72]COCCOC...
1
BrC1=CC(=NC=C1)NC(CCl)=O.Cl.Cl.CN1C(CNCC1)C(=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=CC(=NC=C1)NC(=O)CN1CC(N(CC1)C)C(=O)OC
3
[CH3:1][O:2][C:3](=[O:24])[C:4]1[CH:12]=[C:11]([NH:13][C:14]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[O:15])[CH:10]=[C:6](C(O)=O)[CH:5]=1.CCN(CC)CC.[CH:32]([O:35]C(Cl)=O)(C)C.[BH4-].[Na+]>C1COCC1.CN1CCCC1=O.CCOCC.O>[CH3:1][O:2][C:3](=[O:24])[C:4]1[CH:5]=[CH:6][CH2:10][C:11]([NH:13][C:14]([O:16][CH...
2
C1(CCCC1)N1N=CC=2C(=CC(=CC12)C=C)C(=O)NCC=1C(NC(=CC1C)C)=O>ClCCl.C[N+]1(CCOCC1)[O-].[Os](=O)(=O)(=O)=O>C1(CCCC1)N1N=CC=2C(=CC(=CC12)C(CO)O)C(=O)NCC=1C(NC(=CC1C)C)=O
3
C1COCCN1.FC(C=1C=C(NC=2SC=C(N2)C=2C=C(C(=O)O)C=CC2)C=CC1)(F)F>ClCCl.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>O1CCN(CC1)C(=O)C1=CC(=CC=C1)C=1N=C(SC1)NC1=CC(=CC=C1)C(F)(F)F
3
NC=1C=CC(=NC1)Cl.C1(=CC=CC=C1)C=1OC(=C(N1)C(F)(F)F)C(=O)O>CC#N.C1CCCO1.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC1=CC=C(C=N1)NC(=O)C1=C(N=C(O1)C1=CC=CC=C1)C(F)(F)F
3
Cl.[NH2:2][OH:3].[CH:4]1([O:9][C:10]2[C:11]([O:21][CH3:22])=[CH:12][CH:13]=[C:14]3[C:19]=2[O:18][CH2:17][CH2:16][C:15]3=O)[CH2:8][CH2:7][CH2:6][CH2:5]1.C(=O)([O-])[O-].[K+].[K+]>C(O)C>[CH:4]1([O:9][C:10]2[C:11]([O:21][CH3:22])=[CH:12][CH:13]=[C:14]3[C:19]=2[O:18][CH2:17][CH2:16][C:15]3=[N:2][OH:3])[CH2:8][CH2:7][CH2:6]...
2
ClC1=CC(=C(C=C1)CCCCOC)[N+](=O)[O-]>ClCCl.B(Br)(Br)Br>ClC1=CC(=C(C=C1)CCCCO)[N+](=O)[O-]
3
ClC=1C=C2C(C(=COC2=C(C1)Cl)C=O)=O.C(=O)N.[Na]>Cl.NO.C(=O)O>C(#N)C1=COC2=C(C=C(C=C2C1=O)Cl)Cl
3
CC1(C)CCCC(C)(C)N1.C([Li])CCC.[CH3:16][O:17][C:18]1[CH:23]=[N:22][CH:21]=[CH:20][N:19]=1.Br[C:25]1[CH:30]=[CH:29][C:28]([N+:31]([O-:33])=[O:32])=[C:27]([O:34][CH3:35])[CH:26]=1.C(N(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O.C(=O)([O-])[O-].[K+].[K+]>O1CCCC1.O.[Cl-].[Zn+2].[Cl-].C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=...
2
CCCCCCCCCCCCCCCC([NH:18][C@@H:19]1[C:50](=[O:51])[NH:49][C@@H:48]([C@H:52]([OH:54])[CH3:53])[C:46](=[O:47])[N:45]2[C@@H:41]([CH2:42][C@@H:43]([OH:55])[CH2:44]2)[C:39](=[O:40])[NH:38][C@@H:37]([C@H:56]([OH:71])[C@@H:57]([OH:70])[C:58]2[CH:59]=[CH:60][C:61]([OH:69])=[C:62]([O:64][S:65]([OH:68])(=[O:67])=[O:66])[CH:63]=2)...
1
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7>>CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl
5
C(C)OP(=O)(OCC)CC(=O)O>>C(C)OP(OCC)(=O)CC(=O)Cl
5
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][N:10]([CH2:21][C:22]2[CH:27]=[CH:26][C:25]([CH:28]3[CH2:31][CH2:30][CH2:29]3)=[CH:24][CH:23]=2)[C:11]([C:13]2[C:18]([NH2:19])=[CH:17][CH:16]=[C:15]([CH3:20])[N:14]=2)=[O:12])=[CH:4][CH:3]=1.[CH2:32]=O.[BH4-].[Na+]>C(O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH2:9][N:10]([C...
1
ClC1=CC=C(C=N1)OC1=C2C(=NC=C1)N(N=C2NC(COC)(C)C)CC2=CC=C(C=C2)OC>>NC1=CC=C(C=N1)OC1=C2C(=NC=C1)N(N=C2NC(COC)(C)C)CC2=CC=C(C=C2)OC
5
[Cl:1][C:2]1[N:6]([CH2:7][CH2:8][O:9][CH3:10])[N:5]=[CH:4][C:3]=1[N+:11]([O-])=O.C(O)(=O)C>O.[Fe]>[Cl:1][C:2]1[N:6]([CH2:7][CH2:8][O:9][CH3:10])[N:5]=[CH:4][C:3]=1[NH2:11]
1
[C:1]1([CH3:19])[CH:6]=[CH:5][C:4]([S:7]([N:10]2[CH:14]=[CH:13][C:12]([C:15](OC)=[O:16])=[CH:11]2)(=[O:9])=[O:8])=[CH:3][CH:2]=1.[Li+].[BH4-].CCCCCC.C(OCC)(=O)C>C1COCC1>[C:1]1([CH3:19])[CH:2]=[CH:3][C:4]([S:7]([N:10]2[CH:14]=[CH:13][C:12]([CH2:15][OH:16])=[CH:11]2)(=[O:9])=[O:8])=[CH:5][CH:6]=1
1
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][OH:8].C1N=CN([C:14](N2C=NC=C2)=[O:15])C=1.[NH2:21][CH:22]1[CH2:27][CH2:26][CH:25]([CH2:28][O:29][C:30]([N:32]2[CH2:36][CH2:35][CH2:34][CH2:33]2)=[O:31])[CH2:24][CH2:23]1>C1COCC1.O>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][O:8][C:14]([NH:21][CH:22]1[CH2:27][CH2:26][CH:...
1
OCC1=C(C=CC=C1)B(O)O.N12C[C@@H](C(CC1)CC2)NC(=O)C=2OC1=C(C2)C=CC(=C1)Br>>N12C[C@@H](C(CC1)CC2)NC(=O)C=2OC1=C(C2)C=CC(=C1)C1=C(C=CC=C1)CO
5