HRID1236764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID404051

未命名化合物

HCID670823

4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid

C5H5ClN2O2

PRODUCTS

生成物

结构：Cn1ncc(Cl)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1

HCID51035143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e86f25a8fbdb4d02afacdf481126a3c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B-:20]([F:21])([F:22])([F:23])[F:24].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[c:12]([C:17](=[O:18])[OH:19])[n:13]([CH3:16])[n:14][cH:15]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[c:42]1(-[c:48]2[n:49][c:50]3[n:51]([cH:52][n:53][c:54]([NH2:56])[cH:55]3)[cH:57]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[Cl:10][c:11]1[c:12]([C:17](=[O:19])[NH:56][c:54]2[n:53][cH:52][n:51]3[c:50]([n:49][c:48](-[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:57]3)[cH:55]2)[n:13]([CH3:16])[n:14][cH:15]1