HRID2342258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2c(-c3ccc4c(c3)OCO4)c(OCCO)nn2Cc2ccccc2)cc1

HCID22281905

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2[nH]nc(OCCO)c2-c2ccc3c(c2)OCO3)cc1

HCID22281936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f3d7fb07c974c7fbf2573b99a896de0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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