HRID287963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID3051395

未命名化合物

HCID3782278

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

C11H10N2O3

PRODUCTS

生成物

结构：COc1ccc(-c2[nH]ncc2C(=O)N2CC(O)(c3ccccc3)CC2C)cc1

HCID59170100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9291104959f44350954b1d4a9646664a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:37]([P:38]([OH:39])(=[O:40])[OH:41])[CH2:42][CH3:43].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][CH:2]1[CH2:3][C:4]([OH:7])([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:5][NH:6]1.[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26](-[c:29]2[c:30]([C:34](=[O:35])[OH:36])[cH:31][n:32][nH:33]2)[cH:27][cH:28]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH3:1][CH:2]1[CH2:3][C:4]([OH:7])([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:5][N:6]1[C:34]([c:30]1[c:29](-[c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27]2)[nH:33][n:32][cH:31]1)=[O:35]