HRID118947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7412

Benzoyl chloride

C7H5ClO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31374

Dimethylacetamide

C4H9NO

HCID9925734

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccncc2)c1

HCID22282227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56611f79a328476183d1150a1650b7b5
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

[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)(=[O:28])[Cl:29].[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([NH2:20])[s:12][c:13]2-[c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:35][N:36]([CH3:37])[c:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1.[CH3:44][N:45]([CH3:46])[C:47](=[O:48])[CH3:49].[Na+:30].[OH:31][C:32](=[O:33])[O-:34]>>[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([NH:20][C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[s:12][c:13]2-[c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[cH:5][c:6]([CH3:8])[cH:7]1