HRID291375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID600040

4-Chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid

C6H7ClN2O2

HCID50878390

2-Phenylimidazo[1,2-a]pyrimidin-7-amine

C12H10N4

PRODUCTS

生成物

结构：Cc1nn(C)c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c1Cl

HCID67384369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2abab4239ca447e18fa59db98c8ece32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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