HRID177602

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

HCID3051395

未命名化合物

HCID12189266

3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid

C10H7ClN2O2

PRODUCTS

生成物

结构：CC1CC(O)(c2ccccc2)CN1C(=O)c1cn[nH]c1-c1ccc(Cl)cc1

HCID59170057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d90fb066dfc434f84df0357e9ba3e3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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