HRID2321309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31261

2,4-Pentanedione

C5H8O2

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID5360545

Sodium

结构：C=CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C

HCID178458148

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(CCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C)C(C)=O

HCID178467805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10b52587d42e467fbc21cf971592b4f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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