HRID668875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7583

Diphenyl oxide

C12H10O

HCID8058

n-Hexane

C6H14

HCID66114

Ethyl hydrogen glutarate

C7H12O4

HCID104727

Aluminum Cation

Al+3

PRODUCTS

生成物

HCID13584387

Ethyl 5-oxo-5-(4-phenoxyphenyl)pentanoate

C19H20O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bbfd84e20ba401d94342c122437efe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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