HRID1214259

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(Cc1ccc(Oc2ccc(C=O)cc2)cc1)NC(=O)OC(C)(C)C

HCID59869153

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1)NC(=O)OC(C)(C)C

HCID76573110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0f34fa4133f46f78f66c4e91f515bf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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