HRID669406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10366

Pyridine-3,5-dicarboxylic acid

C7H5NO4

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(C=C2SC(=O)NC2=O)c2sccc12

HCID85319247

未命名化合物

PRODUCTS

生成物

HCID9825701

Edaglitazone

C24H20N2O4S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4525c9b0f1524ac0a7f991f0cd0b4d30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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