HRID312261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31261

2,4-Pentanedione

C5H8O2

结构：CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID66609

2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol

C17H29NO

结构：CC(=O)C(C(C)=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID20455525

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)pentane-2,4-dione

C19H28O3

PRODUCTS

生成物

结构：CC(=O)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O

HCID914401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19fd25da689d4546905b6fa4b9ee8cf3
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

[C:29]([c:30]1[cH:31][c:32]([CH:33]([C:34](=[O:35])[CH3:36])[C:37](=[O:38])[CH3:39])[cH:40][c:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[c:46]1[OH:47])([CH3:48])([CH3:49])[CH3:50].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[CH3:22][C:23](=[O:24])[CH2:25][C:26]([CH3:27])=[O:28].[CH3:52][CH2:53][OH:54].[Na+:21].[OH-:20].[OH2:51]>>[CH2:4]([c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1)[CH:25]([C:23]([CH3:22])=[O:24])[C:26]([CH3:27])=[O:28]