HRID215330

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

HCID67774145

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1

HCID57377633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d6a45253acf4d5d8249e6c5956bd1fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[cH:23][n:24][n:25]([CH3:30])[c:26]1[C:27](=[O:28])[OH:29].[CH2:31]([P:32]([OH:33])([OH:34])=[O:35])[CH2:36][CH3:37].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[c:1]1(-[c:7]2[n:8][n:9]3[c:10]([cH:11][c:12]([NH2:15])[cH:13][cH:14]3)[n:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9]3[c:10]([cH:11][c:12]([NH:15][C:27]([c:26]4[c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[cH:23][n:24][n:25]4[CH3:30])=[O:28])[cH:13][cH:14]3)[n:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1