HRID96228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1

HCID6264

1-Fluoro-2,4-dinitrobenzene

C6H3FN2O4

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：Nc1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

HCID4245356

3-(Heptadecafluorooctyl)aniline

C14H6F17N

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c([N+](=O)[O-])c1

HCID22735001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-def51f9ceb774e49a68d3ee803087d1b
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

[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[F:1][C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([F:10])([F:11])[F:12])([F:13])[F:14])([F:15])[F:16])([F:17])[F:18])([F:19])[F:20])([F:21])[F:22])([F:23])[F:24])([c:25]1[cH:26][c:27]([NH2:31])[cH:28][cH:29][cH:30]1)[F:32].[N+:33](=[O:34])([O-:35])[c:36]1[c:37]([F:45])[cH:38][cH:39][c:40]([N+:42](=[O:43])[O-:44])[cH:41]1>>[F:1][C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([F:10])([F:11])[F:12])([F:13])[F:14])([F:15])[F:16])([F:17])[F:18])([F:19])[F:20])([F:21])[F:22])([F:23])[F:24])([c:25]1[cH:26][c:27]([NH:31][c:37]2[c:36]([N+:33](=[O:34])[O-:35])[cH:41][c:40]([N+:42](=[O:43])[O-:44])[cH:39][cH:38]2)[cH:28][cH:29][cH:30]1)[F:32]