查数据/反应详情

HRID307335

反应详情

EQUATION

反应方程式

HRID 307335 的结构方程式

REACTANTS

反应物

4

结构：CO

Methanol

CH4O

结构：[Na+]

Sodium ion

Na+

结构：[OH-]

Hydroxide

HO-

结构：CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

未命名化合物

PRODUCTS

生成物

1

结构：CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO

(13cis)-Retinol

C20H30O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-056df0bbc9aa42cc9f689f0a85f1aaed
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

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

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