HRID2329729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CCCCCCCCCCCC(CC(O)C(CCCCCC)C(=O)O)OC1CCCCO1

HCID14852585

未命名化合物

PRODUCTS

生成物

HCID10665857

3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

C22H42O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2389c62591e405ebf4aef24bc1cb50c
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

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