HRID93288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

结构：COc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505485

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e581f400d574824b5aa8c66e919fd28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[ClH:46].[F:26][C:27]([c:28]1[cH:29][c:30]([C:31](=[O:32])[Cl:33])[cH:34][cH:35][cH:36]1)([F:37])[F:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:24][CH3:25])[c:6]([O:7][c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[cH:14][c:15]([NH:17][C:18](=[O:19])[CH:20]2[CH2:21][CH2:22]2)[n:16]3)[cH:23]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:24][CH3:25])[c:6]([O:7][c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[cH:14][c:15]([NH:17][C:18](=[O:19])[CH:20]2[CH2:21][CH2:22]2)[n:16]3)[cH:23]1)[C:31]([c:30]1[cH:29][c:28]([C:27]([F:26])([F:37])[F:38])[cH:36][cH:35][cH:34]1)=[O:32]