HRID137085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID31268

Pyrrolidine

C4H9N

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)N4CCCC4)cnn3C)ccn2n1

HCID57377849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bd78ebc563e44dc8ab06ddb797ab908
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29]1.[CH2:30]([P:31]([OH:32])([OH:33])=[O:34])[CH2:35][CH3:36].[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:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]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:21])[N:28]4[CH2:27][CH2:26][CH2:25][CH2:29]4)[cH:16][n:17][n:18]3[CH3:19])[cH:9][cH:10]2)[n:23]1)[CH3:24]