HRID174440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777166

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

C11H9ClN2O2

HCID17609588

未命名化合物

PRODUCTS

产物

HCID22228152

1-(4-Chlorophenyl)-N-{4-[4-(4-chlorophenyl)piperazin-1-yl]-3-cyanophenyl}-5-methylpyrazole-4-carboxamide

C28H24Cl2N6O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e6aa57d10d4b4b23bf1ac1b37b0df5fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[Cl: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][N:29]([c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[CH2:30][CH2:31]2)[c:22]([C:23]#[N:24])[cH:25]1>>[Cl: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][N:29]([c:32]5[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH: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