HRID1181689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25517

未命名化合物

HCID33557

未命名化合物

结构：Cn1cc(C#N)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12

HCID24884488

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2nnn[nH]2)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12

HCID178480142

未命名化合物

收率 64.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 120 °C

PROCEDURE

实验过程

Sodium azide (0.054 g) and ammonium chloride (0.044 g) were added to a solution of 5-[2-[(6-chloro-4-quinolinyl)methyl]-7-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methyl-4,6-dioxo-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carbonitrile (0.083 g) in dimethylformamide (5 ml) at 0° C. The mixture was heated at 120° C. for 31 hour. The crude reaction was purified on preparative HPLC to give the title compound (0.058 g). Mass: 543.08 (M+H).

WORKUP

后处理

customThe crude reaction
customwas purified on preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9503db3af274084b26e9162e6fe8329
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07285558B2
来源说明: uspto-grants-2007_10

反应 SMILES

[N-:1]=[N+:2]=[N-:3].[Na+].[Cl-].[NH4+].[Cl:7][C:8]1[CH:9]=[C:10]2[C:15](=[CH:16][CH:17]=1)[N:14]=[CH:13][CH:12]=[C:11]2[CH2:18][N:19]1[C:27]([C:28]2[N:32]([CH3:33])[CH:31]=[C:30]([C:34]#[N:35])[CH:29]=2)=[C:26]2[C:21]([N:22]([CH2:39][CH:40]3[CH2:42][CH2:41]3)[C:23](=[O:38])[N:24]([CH3:37])[C:25]2=[O:36])=[N:20]1>CN(C)C=O>[Cl:7][C:8]1[CH:9]=[C:10]2[C:15](=[CH:16][CH:17]=1)[N:14]=[CH:13][CH:12]=[C:11]2[CH2:18][N:19]1[C:27]([C:28]2[N:32]([CH3:33])[CH:31]=[C:30]([C:34]3[NH:35][N:3]=[N:2][N:1]=3)[CH:29]=2)=[C:26]2[C:21]([N:22]([CH2:39][CH:40]3[CH2:42][CH2:41]3)[C:23](=[O:38])[N:24]([CH3:37])[C:25]2=[O:36])=[N:20]1