HRID1120895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID573176

1-Methyl-1H-pyrazole-3-carboxylic acid

C5H6N2O2

HCID23145332

未命名化合物

PRODUCTS

产物

HCID135508516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7e370a8815dc458e8cbe14075bfee381
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:37][n:38]1[n:39][c:40]([C:43]([OH:44])=[O:45])[cH:41][cH:42]1.[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]3[c:8]([nH:9][c:10](-[c:12]4[cH:13][cH:14][cH:15][cH:16][n:17]4)[n:11]3)[cH:18][c:19]2[O:20][c:21]2[cH:22][n:23][c:24]([S:27](=[O:28])(=[O:29])[CH2:30][CH3:31])[cH:25][cH:26]2)[c:32]([F:36])[cH:33][cH:34][cH:35]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]3[c:8]([nH:9][c:10](-[c:40]4[n:39][n:38]([CH3:37])[cH:42][cH:41]4)[n:11]3)[cH:18][c:19]2[O:20][c:21]2[cH:22][n:23][c:24]([S:27](=[O:28])(=[O:29])[CH2:30][CH3:31])[cH:25][cH:26]2)[c:32]([F:36])[cH:33][cH:34][cH:35]1