HRID2153694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID12923424

Ethyl 2-chloro-3-oxopentanoate

C7H11ClO3

HCID23274807

3-Undecylphenol

C17H28O

PRODUCTS

生成物

结构：CCCCCCCCCCCc1cccc(OC(C(=O)CC)C(=O)OCC)c1

HCID19955508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f816d985558d40e6bad349b9242e79dd
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

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