HRID830262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(S(=O)(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cc1

HCID280698

Cholest-5-en-3-yl 4-methylbenzene-1-sulfonate

C34H52O3S

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCO)CCC4(C)C3CCC12C

HCID174869

2-[(Cholest-5-en-3-yl)oxy]ethan-1-ol

C29H50O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e02cefdc3044f9a882169f267b137c7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:43].[OH:39][CH2:40][CH2:41][OH:42].[S:1]([c:2]1[cH:3][cH:4][c:5]([CH3:6])[cH:7][cH:8]1)(=[O:9])(=[O:10])[O:11][CH:12]1[CH2:13][C:14]2=[CH:15][CH2:16][CH:17]3[CH:18]4[CH2:19][CH2:20][CH:21]([CH:22]([CH2:23][CH2:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH3:29])[C:30]4([CH3:38])[CH2:31][CH2:32][CH:33]3[C:34]2([CH3:37])[CH2:35][CH2:36]1>>[O:11]([CH:12]1[CH2:13][C:14]2=[CH:15][CH2:16][CH:17]3[CH:18]4[CH2:19][CH2:20][CH:21]([CH:22]([CH2:23][CH2:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH3:29])[C:30]4([CH3:38])[CH2:31][CH2:32][CH:33]3[C:34]2([CH3:37])[CH2:35][CH2:36]1)[CH2:41][CH2:40][OH:39]