HRID286301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3327

Farnesol

C15H26O

HCID7449

3-Nitrobenzaldehyde

C7H5NO3

HCID8058

n-Hexane

C6H14

HCID8078

Cyclohexane

C6H12

HCID104727

Aluminum Cation

Al+3

HCID3260420

未命名化合物

3 次

PRODUCTS

生成物

HCID68150

2,6,10-Dodecatrienal, 3,7,11-trimethyl-

C15H24O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-159bbb1bf1e74342b12b9d9feb49dd9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Al+3:21].[CH2:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[CH3:17][CH:18]([CH3:19])[O-:20].[CH3:1][C:2](=[CH:3][CH2:4][OH:5])[CH2:6][CH2:7][CH:8]=[C:9]([CH2:10][CH2:11][CH:12]=[C:13]([CH3:14])[CH3:15])[CH3:16].[CH3:22][CH:23]([CH3:24])[O-:25].[CH3:26][CH:27]([CH3:28])[O-:29].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[ClH:41].[N+:30]([c:31]1[cH:32][c:33]([CH:37]=[O:38])[cH:34][cH:35][cH:36]1)([O-:39])=[O:40]>>[CH3:1][C:2](=[CH:3][CH:4]=[O:5])[CH2:6][CH2:7][CH:8]=[C:9]([CH2:10][CH2:11][CH:12]=[C:13]([CH3:14])[CH3:15])[CH3:16]