HRID2343949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62324

Propanoyl chloride

C3H5ClO

HCID22136278

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2

HCID22136285

N-[7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]propionamide

C18H23ClN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89e28f14eb7b452db1b1d4ee9e741c29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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