HRID89364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID74115

Benzoic acid, 4-amino-3-nitro-

C7H6N2O4

HCID2737744

5-Amino-2-(trifluoromethyl)pyridine

C6H5F3N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-]

HCID66966225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae6c74d98da64b6e94bf7258f69527f4
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:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:9])[cH:7][n:8]1)([F:10])[F:11].[NH2:12][c:13]1[c:14]([N+:22](=[O:23])[O-:24])[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:17]([c:16]2[cH:15][c:14]([N+:22](=[O:23])[O-:24])[c:13]([NH2:12])[cH:21][cH:20]2)=[O:18])[cH:7][n:8]1)([F:10])[F:11]