HRID2342661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8058

n-Hexane

C6H14

HCID30165

Iodide ion

I-

HCID178418339

未命名化合物

结构：CC(=O)C1CCC2C3CCC4CC5OC5CC4(C)C3C(=O)CC12C

HCID178465864

未命名化合物

PRODUCTS

生成物

结构：CCCCC1CC2(C)C(CCC3C4CCC(C(C)=O)C4(C)CC(=O)C32)CC1O

HCID178440573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee44382c8c5f4128a3fd2821843e06ea
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][CH3:4])[Li:5].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11].[Cl-:37].[I-:12].[NH4+:38].[O:13]1[CH:14]2[CH:15]1[CH2:16][CH:17]1[CH2:18][CH2:19][CH:20]3[CH:21]4[CH2:22][CH2:23][CH:24]([C:25]([CH3:26])=[O:27])[C:28]4([CH3:36])[CH2:29][C:30](=[O:35])[CH:31]3[C:32]1([CH3:34])[CH2:33]2>>[CH2:1]([CH2:2][CH2:3][CH3:4])[CH:14]1[CH:15]([OH:13])[CH2:16][CH:17]2[CH2:18][CH2:19][CH:20]3[CH:21]4[CH2:22][CH2:23][CH:24]([C:25]([CH3:26])=[O:27])[C:28]4([CH3:36])[CH2:29][C:30](=[O:35])[CH:31]3[C:32]2([CH3:34])[CH2:33]1