HRID1219264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：CN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1

HCID67775107

5-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid

C14H15N7O3

PRODUCTS

生成物

结构：CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1

HCID57377848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89a8b0521f3447a5b3a83ee35e092408
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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