HRID2312046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31374

Dimethylacetamide

C4H9NO

HCID78284

Cyclopentanecarbonyl chloride

C6H9ClO

HCID9925734

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2nc(NC(=O)C3CCCC3)sc2-c2ccncc2)c1

HCID22282282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc2874fcc87f48d38430ca191a82531d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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