HRID948455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID304

Cholest-5-en-3-ol

C27H46O

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a81cafd27a0a4f2c8315d7fde1bd7a9e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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