HRID117787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9731

4-Fluoroaniline

C6H6FN

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID86051548

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=Nc1cc(Br)ccc1C(=O)Nc1ccc(F)cc1

HCID86666421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0bfed5ce63b4e1e9230174e4a01905c
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

[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]([Br:13])[cH:12]1.[NH2:47][c:48]1[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]([C:6](=[O:8])[NH:47][c:48]2[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]2)[cH:9][cH:10][c:11]([Br:13])[cH:12]1