HRID2148724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID21692686

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)OCc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID178460433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-121d123268a64c628e44d85eec2014e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[OH2:40].[OH:1][c:2]1[c:3]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:4][c:5]([CH:12]([C:13](=[O:14])[OH:15])[CH3:16])[cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[CH3:11].[OH:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[OH:1][c:2]1[c:3]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:4][c:5]([CH:12]([C:13]([O:14][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:15])[CH3:16])[cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[CH3:11]