HRID664150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2769583

5-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid

C12H12N2O2

HCID21942389

未命名化合物

PRODUCTS

产物

HCID22227896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-292a6e3aec4a40fb84fe9d5ac733369a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[c:12]2[CH3:13])[cH:6][cH:7]1.[NH2:17][c:18]1[cH:19][cH:20][c:21]([N:26]2[CH2:27][CH2:28][CH:29]([N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[CH2:30][CH2:31]2)[c:22]([C:23]#[N:24])[cH:25]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([N:26]4[CH2:27][CH2:28][CH:29]([N:32]5[CH2:33][CH2:34][O:35][CH2:36][CH2:37]5)[CH2:30][CH2:31]4)[c:22]([C:23]#[N:24])[cH:25]3)[c:12]2[CH3:13])[cH:6][cH:7]1