HRID160331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID344373

5-Aminopyrimidine

C4H5N3

HCID519683

2-Methyl-5-nitrobenzoic acid

C8H7NO4

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncnc1

HCID24823255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dca17054e69b4286ab303260ee9247d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[CH:38]([NH:39][CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[NH2:45][c:46]1[cH:47][n:48][cH:49][n:50][cH:51]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[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>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[NH:45][c:46]2[cH:47][n:48][cH:49][n:50][cH:51]2)[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1