HRID90695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID24593

Copper(1+) bromide

BrCu

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CC(=O)OC1CCC2C3CCC4CC(=O)C=CC4(C)C3CCC12C

HCID76473131

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2C3CCC4CC(=O)CC(C)C4(C)C3CCC12C

HCID3530540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-451fa254eaf74454b1b46e7cf6d21d40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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