HRID203969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID2778306

1-(Trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2

HCID18460110

1-(4-Fluoro-3-nitrophenyl)methanamine

C7H7FN2O2

PRODUCTS

生成物

结构：O=C(NCc1ccc(F)c([N+](=O)[O-])c1)C1(C(F)(F)F)CC1

HCID59529826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cab33e7a630940fdbfba1983d3e11d5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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