HRID89415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID5437

Thiazolidinedione

C3H3NO2S

HCID8082

Piperidine

C5H11N

结构：Cc1ccc(C=C(C(=O)O)c2ccc(Oc3ccc(C=O)cc3)cc2)cc1

HCID72556531

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C=C(C(=O)O)c2ccc(Oc3ccc(C=C4SC(=O)NC4=O)cc3)cc2)cc1

HCID72556530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97e117203a434d2cb149150d92888da1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([C:14]([C:15](=[O:16])[OH:17])=[CH:18][c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:12][cH:13]2)[cH:26][cH:27]1.[ClH:50].[OH:35][C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43].[S:28]1[C:29](=[O:34])[NH:30][C:31](=[O:33])[CH2:32]1>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([C:14]([C:15](=[O:16])[OH:17])=[CH:18][c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:12][cH:13]2)[cH:26][cH:27]1)=[C:32]1[S:28][C:29](=[O:34])[NH:30][C:31]1=[O:33]