HRID212865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID5437

Thiazolidinedione

C3H3NO2S

HCID8082

Piperidine

C5H11N

结构：COc1ccc(-c2ccc(C=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

HCID86586033

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C=C3SC(=O)NC3=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

HCID72416572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09c6f1da886c404a81554d5ad736d602
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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