HRID663864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4458

3,7-Dimethyl-2,6-octadienol

C10H18O

HCID8058

n-Hexane

C6H14

HCID11594

2-Methylheptane

C8H18

HCID135002

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OCC=C(C)CCC=C(C)C

HCID91596201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa8de7e8e55d453d8fe1b29ebde4ca43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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