HRID943212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID1140

Toluene

C7H8

HCID5437

Thiazolidinedione

C3H3NO2S

HCID8082

Piperidine

C5H11N

HCID51051507

未命名化合物

PRODUCTS

产物

HCID75253234

4-[4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile

C19H11F3N2O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9e03125aa3c34ad48573d72ebd65d3e7
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

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