查数据/反应详情

HRID92626

反应详情

EQUATION

反应方程式

HRID 92626 的结构方程式

REACTANTS

反应物

2

结构：O=[N+]([O-])c1ccc(F)cc1

1-Fluoro-4-nitrobenzene

C6H4FNO2

结构：OCc1ccc(C(F)(F)F)cc1

4-(Trifluoromethyl)benzyl alcohol

C8H7F3O

PRODUCTS

生成物

1

结构：O=[N+]([O-])c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1064c450689f4b41bc48143ac1a1c3c5
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

[F:11][C:12]([c:13]1[cH:14][cH:15][c:16]([CH2:17][OH:18])[cH:19][cH:20]1)([F:21])[F:22].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1>>[c:2]1([O:18][CH2:17][c:16]2[cH:15][cH:14][c:13]([C:12]([F:11])([F:21])[F:22])[cH:20][cH:19]2)[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

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