HRID2135091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID596118

[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H7F3N2O2

HCID57935959

未命名化合物

PRODUCTS

产物

HCID66911511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-84984d8d43f146d6913dad6afc7891da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH2:47]([CH3:48])[O:49][C:50](=[O:51])[c:52]1[n:53][c:54]([CH:57]2[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]2)[s:55][cH:56]1.[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:9])[OH:10].[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[ClH:46].[F:24][B-:25]([F:26])([F:27])[F:28].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:10])[N:60]1[CH2:59][CH2:58][CH:57]([c:54]2[n:53][c:52]([C:50]([O:49][CH2:47][CH3:48])=[O:51])[cH:56][s:55]2)[CH2:62][CH2:61]1