HRID2125286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID867

Propanedioic acid

C3H4O4

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12703

N,N-Diethylacetamide

C6H13NO

HCID166653

Hydride

H-

HCID12541536

1-(4-Ethenylphenyl)octan-1-one

C16H22O

PRODUCTS

生成物

HCID12703

N,N-Diethylacetamide

C6H13NO

结构：CCCCCCCC(=O)c1ccc(CCOC(=O)CC(=O)O)cc1

HCID70231124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84ef4993462a47afb3fd27db37b35ed5
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

[C:1]([CH2:2][C:3](=[O:4])[OH:5])(=[O:6])[OH:7].[C:8]([CH3:9])(=[O:10])[N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[CH3:35][CH2:36][OH:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:18](=[CH2:19])[c:20]1[cH:21][cH:22][c:23]([C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:34])[cH:24][cH:25]1.[H-:16].[Na+:17].[OH2:43]>>[C:1]([CH2:2][C:3](=[O:4])[OH:5])(=[O:6])[O:7][CH2:19][CH2:18][c:20]1[cH:21][cH:22][c:23]([C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:34])[cH:24][cH:25]1.[C:8]([CH3:9])(=[O:10])[N:11]([CH2:12][CH3:13])[CH2:14][CH3:15]