HRID1567793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID25247567

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

C8H10N2O4

HCID67776349

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(C(C)C)nc2c1

HCID67775033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eb968c548b541d7a6aa1cad6e641810
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:14]([CH3:15])[O:16][C:17](=[O:18])[c:19]1[cH:20][n:21][n:22]([CH3:27])[c:23]1[C:24](=[O:25])[OH:26].[CH2:28]([P:29]([OH:30])([OH:31])=[O:32])[CH2:33][CH3:34].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][c:9]([NH2:12])[cH:10][cH:11]2)[n:13]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][c:9]([NH:12][C:24]([c:23]3[c:19]([C:17]([O:16][CH2:14][CH3:15])=[O:18])[cH:20][n:21][n:22]3[CH3:27])=[O:25])[cH:10][cH:11]2)[n:13]1