HRID203045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)ccc21

HCID15516933

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCl)ccc21

HCID21192571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bbb1ce393754e2e95a4fcd1fc4498fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[CH3:40][N:41]([c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1)[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12]([CH3:23])[c:13]3[cH:14][cH:15][c:16]([CH2:21][OH:22])[cH:17][c:18]3[c:19]2=[O:20])[cH:24][cH:25]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[n:26]1[c:27]([CH3:28])[cH:29][c:30]([CH3:31])[cH:32][c:33]1[CH3:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12]([CH3:23])[c:13]3[cH:14][cH:15][c:16]([CH2:21][Cl:37])[cH:17][c:18]3[c:19]2=[O:20])[cH:24][cH:25]1