HRID199285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID84648

Butanoic acid, 4-chloro-4-oxo-, ethyl ester

C6H9ClO3

HCID4248647

diethyl 2-methyl-3-oxohexanedioate

C11H18O5

HCID5462222

Potassium

HCID21485504

1-(Diethylamino)-6-(3-methoxyphenyl)hexan-3-one

C17H27NO2

PRODUCTS

生成物

结构：CCOC(=O)CCC(=O)C(C)(CCC(=O)CCCc1cccc(OC)c1)C(=O)OCC

HCID21485780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea72814f17df448f8e6f87ce8546a519
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:17]([O:18][C:19]([CH2:20][CH2:21][C:22]([Cl:23])=[O:24])=[O:25])[CH3:26].[CH2:27]([N:28]([CH2:29][CH3:45])[CH2:30][CH2:31][C:32]([CH2:33][CH2:34][CH2:35][c:36]1[cH:37][c:38]([O:42][CH3:43])[cH:39][cH:40][cH:41]1)=[O:44])[CH3:46].[CH3:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[C:8]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])=[O:16].[CH3:54][CH2:55][OH:56].[K:47].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([C:8]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])=[O:16])[CH2:30][CH2:31][C:32]([CH2:33][CH2:34][CH2:35][c:36]1[cH:37][c:38]([O:42][CH3:43])[cH:39][cH:40][cH:41]1)=[O:44]