HRID297390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9942311

2-CHLOROBENZOYL ISOCYANATE

C8H4ClNO2

HCID13341106

未命名化合物

HCID20567059

5-[4-(Trifluoromethyl)phenyl]-2-pyrazinamine

C11H8F3N3

PRODUCTS

产物

HCID13341093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c7e0c21d3e7e428e85a15e24509545d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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