HRID1206766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66096

3-(Trifluoromethoxy)benzoic acid

C8H5F3O3

反应SMILES：N#Cc1c(Oc2cc(N)c(F)cc2Cl)ccc2nc(NC(=O)C3CC3)sc12

HCID86644692

未命名化合物

PRODUCTS

产物

反应SMILES：N#Cc1c(Oc2cc(NC(=O)c3cccc(OC(F)(F)F)c3)c(F)cc2Cl)ccc2nc(NC(=O)C3CC3)sc12

HCID59454480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a2d26d92bb494cdaa24237c738dac6d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)([F:13])[F:14].[NH2:26][c:27]1[c:28]([F:52])[cH:29][c:30]([Cl:51])[c:31]([O:32][c:33]2[c:34]([C:48]#[N:49])[c:35]3[c:36]([n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]4[CH2:44][CH2:45]4)[s:39]3)[cH:46][cH:47]2)[cH:50]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:26][c:27]2[c:28]([F:52])[cH:29][c:30]([Cl:51])[c:31]([O:32][c:33]3[c:34]([C:48]#[N:49])[c:35]4[c:36]([n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]5[CH2:44][CH2:45]5)[s:39]4)[cH:46][cH:47]3)[cH:50]2)[cH:10][cH:11][cH:12]1)([F:13])[F:14]