HRID812947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7413

Cyclohexanecarboxylic acid

C7H12O2

HCID7622

Tributylamine

C12H27N

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-bd8ec20766c54ee9b6ab8e93ba09c51a
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].[CH2:42]([CH:43]([CH2:44][CH3:45])[CH2:46][C:47]1([C:48]([O:49][C:50]([C:51]2([CH2:52][CH:53]([CH2:54][CH3:55])[CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]2)=[O:63])=[O:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1)[CH3:70].[CH3:25][CH2:26][CH2:27][CH2:28][N:29]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37].[CH:16]1([C:17]([OH:18])=[O:19])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1.[S:38]([Cl:39])([Cl:40])=[O:41]>>[CH2:1]([CH3:2])[CH:3]([CH2:4][C:5]1([C:11](=[O:12])[Cl:40])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[CH2:14][CH3:15]