HRID139336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

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-763fd8c0e8f346d58929b6921eb6df2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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