HRID815674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7413

Cyclohexanecarboxylic acid

C7H12O2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID10488751

1-(2-Ethyl-butyl)-cyclohexanecarboxylic acid

C13H24O2

结构：CCC(CC)CC1(C(=O)OC(=O)C2(CC(CC)CC)CCCCC2)CCCCC1

HCID86612338

未命名化合物

PRODUCTS

生成物

HCID10657125

1-(2-Ethylbutyl)cyclohexanecarbonyl chloride

C13H23ClO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f640c078077a430ba2ed9b9f73dfbd21
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

[CH2:1]([CH3:2])[CH:3]([CH2:4][C:5]1([C:11](=[O:12])[OH:13])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[CH2:14][CH3:15].[CH2:29]([CH:30]([CH2:31][CH3:32])[CH2:33][C:34]1([C:35]([O:36][C:37]([C:38]2([CH2:39][CH:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)=[O:50])=[O:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1)[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH:16]1([C:17]([OH:18])=[O:19])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1.[S:25]([Cl:26])([Cl:27])=[O:28]>>[CH2:1]([CH3:2])[CH:3]([CH2:4][C:5]1([C:11](=[O:12])[Cl:27])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[CH2:14][CH3:15]