查数据/反应详情

HRID141517

反应详情

EQUATION

反应方程式

HRID 141517 的结构方程式

REACTANTS

反应物

2

结构：CCO

Ethanol

C2H6O

结构：O=[N+]([O-])c1ccccc1OC(F)F

1-(difluoromethoxy)-2-nitrobenzene

C7H5F2NO3

PRODUCTS

生成物

1

结构：Nc1ccccc1OC(F)F

2-(Difluoromethoxy)aniline

C7H7F2NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db6ae9592aa942fea461c5c6a569bca8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:14][CH2:15][OH:16].[F:1][CH:2]([O:3][c:4]1[c:5]([N+:10]([O-:11])=[O:12])[cH:6][cH:7][cH:8][cH:9]1)[F:13]>>[F:1][CH:2]([O:3][c:4]1[c:5]([NH2:10])[cH:6][cH:7][cH:8][cH:9]1)[F:13]

AIchem 开放数据计划：mail@huagongshe.com