HRID809517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5437

Thiazolidinedione

C3H3NO2S

HCID8082

Piperidine

C5H11N

结构：COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=O)cc2)cc1

HCID73197847

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1

HCID73197848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84d269c8e171431a8c777f17e91f017d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH3:1][O:2][C:3]([C:4](=[CH:5][c:6]1[cH:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[cH:11]1)[c:16]1[cH:17][cH:18][c:19]([O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]2)[cH:20][cH:21]1)=[O:31].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[OH2:61].[OH:39][C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[S:32]1[C:33](=[O:38])[NH:34][C:35](=[O:37])[CH2:36]1>>[CH3:1][O:2][C:3]([C:4](=[CH:5][c:6]1[cH:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[cH:11]1)[c:16]1[cH:17][cH:18][c:19]([O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[C:36]3[S:32][C:33](=[O:38])[NH:34][C:35]3=[O:37])[cH:27][cH:28]2)[cH:20][cH:21]1)=[O:31]