HRID292647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8857

Ethyl acetate

C4H8O2

HCID16673

[1,1'-Biphenyl]-4-sulfonic acid

C12H10O3S

HCID450272

2-Hydroxyhippuric acid

C9H9NO4

PRODUCTS

生成物

结构：O=C(NC(C(=O)O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1)c1ccccc1

HCID18786431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52a6b2a61efd4a04957bc2bc03131f36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[OH2:36].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[S:15](=[O:16])(=[O:17])([OH:18])[OH:19].[c:20]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[OH:29])[cH:24][cH:25]1>>[CH:2]([C:3](=[O:4])[OH:5])([NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:33]1[cH:32][cH:31][c:30](-[c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[OH:29])[cH:24][cH:25]2)[cH:35][cH:34]1