HRID1201273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

结构：Cc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)nn2c1

HCID57749340

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)nn2c1

HCID57749304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0f56493db40447ea2ca7074ffd4288e
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

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