HRID214657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID80652

Benzenepropanoic acid, 2-methoxy-

C10H12O3

HCID89682

Ethanol, 2-[(4-methylphenyl)sulfonyl]-

C9H12O3S

PRODUCTS

生成物

结构：COc1ccccc1CCC(=O)OCCS(=O)(=O)c1ccc(C)cc1

HCID20786444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca556001eeb2405fbe6f80f7a4e98432
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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