HRID1255944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57775151

4-Ethynylcinnoline

C10H6N2

结构：Cc1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(C(F)(F)F)c2)cc1I

HCID66736595

N-[4-[[4-(2-Hydroxyethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamide

C22H25F3IN3O2

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnnc2ccccc12

HCID57775186

未命名化合物

PROCEDURE

实验过程

The title compound can be synthesized from 4-ethynylcinnoline and N-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-iodo-4-methylbenzamide in a manner similar to that described for Example 1.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1577e34d36d411c9da19678d4d26220
来源数据集: uspto-grants-2013_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08461167B2
来源说明: uspto-grants-2013_06

反应 SMILES

[C:1]([C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]=[N:5][CH:4]=1)#[CH:2].[OH:13][CH2:14][CH2:15][N:16]1[CH2:21][CH2:20][N:19]([CH2:22][C:23]2[CH:28]=[CH:27][C:26]([NH:29][C:30](=[O:39])[C:31]3[CH:36]=[CH:35][C:34]([CH3:37])=[C:33](I)[CH:32]=3)=[CH:25][C:24]=2[C:40]([F:43])([F:42])[F:41])[CH2:18][CH2:17]1>>[N:6]1[C:7]2[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=2)[C:3]([C:1]#[C:2][C:35]2[CH:36]=[C:31]([CH:32]=[CH:33][C:34]=2[CH3:37])[C:30]([NH:29][C:26]2[CH:27]=[CH:28][C:23]([CH2:22][N:19]3[CH2:20][CH2:21][N:16]([CH2:15][CH2:14][OH:13])[CH2:17][CH2:18]3)=[C:24]([C:40]([F:43])([F:42])[F:41])[CH:25]=2)=[O:39])=[CH:4][N:5]=1