HRID2160159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CC(CCCC(C)(C)O)C1CCC2C3=CC=C4CC(O)(CC(=O)[O-])CCC4(C)C3CCC21C

HCID178443696

未命名化合物

PRODUCTS

生成物

结构：CC(CCCC(C)(C)O)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C

HCID12945177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3708c21ed4c48519115f5896bf6b59b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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