查数据/反应详情

HRID95944

反应详情

EQUATION

反应方程式

HRID 95944 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)OO

tert-Butyl hydroperoxide

C4H10O2

结构：CCCC(C)(C)OC

Pentane, 2-methoxy-2-methyl-

C7H16O

PRODUCTS

生成物

1

结构：CCCC(C)(C)OOC(C)(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c499b5d55791487884193fb3290f01fd
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])([CH3:3])([CH3:4])[O:5][OH:6].[C:7]([CH3:8])([CH3:9])([CH2:10][CH2:11][CH3:12])[O:13][CH3:14]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][O:13][C:7]([CH3:8])([CH3:9])[CH2:10][CH2:11][CH3:12]

AIchem 开放数据计划：mail@huagongshe.com