HRID148743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7679

Benzeneacetyl chloride

C8H7ClO

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)Cc3ccccc3)sc2-c2ccncc2)c1

HCID22282231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff8f2661fd254111a5bed453ec2ce09e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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.[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[Na+:31].[OH:32][C:33](=[O:34])[O-:35].[c:21]1([CH2:27][C:28](=[O:29])[Cl:30])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([NH:20][C:28]([CH2:27][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:29])[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