HRID1112829

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

HCID18526174

Methyl 4-[2-(4-formylphenoxy)ethoxy]benzoate

C17H16O5

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCCOc2ccc(C=C3SC(=O)NC3=O)cc2)cc1

HCID72466484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d79e03b44c72406caec85f824a518e4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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