HRID99874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID45923681

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

C7H8N2O4

HCID67775863

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1

HCID67779881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0787f2727d044858b91108216131cca2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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