HRID948076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7811

4-Thiocresol

C7H8S

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID57900081

2-Methyl-5-phenylpyridine-3-carboxylic acid

C13H11NO2

PRODUCTS

生成物

结构：Cc1ccc(SC(=O)c2cc(-c3ccccc3)cnc2C)cc1

HCID57722887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aefdc62dcaac4f6ab3cdb39d72369f49
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:9][n:10]1.[CH3:29][c:30]1[cH:31][cH:32][c:33]([SH:36])[cH:34][cH:35]1.[CH3:40][N:41]([CH3:42])[c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:37][CH2:38][Cl:39].[cH:23]1[cH:24][cH:25][n:26][cH:27][cH:28]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[S:36][c:33]2[cH:32][cH:31][c:30]([CH3:29])[cH:35][cH:34]2)[cH:7][c:8](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:9][n:10]1