HRID406975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

结构：O=C(NCC(F)(F)F)Nc1cccc(-n2cnc3cc(-c4cccc(C(=O)O)c4)ccc32)c1

HCID67980016

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(F)(F)F)Nc1cccc(-n2cnc3cc(-c4cccc(C(=O)NCc5cccnc5)c4)ccc32)c1

HCID57386158

未命名化合物

PROCEDURE

实验过程

This compound was prepared by using procedures analogous to those described for the synthesis of Example 1 starting from 3-{1-[3-({[(2,2,2-trifluoroethyl)amino]-carbonyl}amino)phenyl]-1H-benzimidazol-5-yl}benzoic acid and picolamine (Aldrich Cat. No. A65409). LCMS (M+H)+: m/z=545.2.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a38075a7eca3444ab49fbd37005cafcf
来源数据集: uspto-grants-2014_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08754114B2
来源说明: uspto-grants-2014_06

反应 SMILES

[F:1][C:2]([F:33])([F:32])[CH2:3][NH:4][C:5]([NH:7][C:8]1[CH:9]=[C:10]([N:14]2[C:18]3[CH:19]=[CH:20][C:21]([C:23]4[CH:24]=[C:25]([CH:29]=[CH:30][CH:31]=4)[C:26](O)=[O:27])=[CH:22][C:17]=3[N:16]=[CH:15]2)[CH:11]=[CH:12][CH:13]=1)=[O:6].[CH:34]1[CH:39]=[N:38][CH:37]=[C:36]([CH2:40][NH2:41])[CH:35]=1>>[N:38]1[CH:39]=[CH:34][CH:35]=[C:36]([CH2:40][NH:41][C:26](=[O:27])[C:25]2[CH:29]=[CH:30][CH:31]=[C:23]([C:21]3[CH:20]=[CH:19][C:18]4[N:14]([C:10]5[CH:11]=[CH:12][CH:13]=[C:8]([NH:7][C:5]([NH:4][CH2:3][C:2]([F:32])([F:33])[F:1])=[O:6])[CH:9]=5)[CH:15]=[N:16][C:17]=4[CH:22]=3)[CH:24]=2)[CH:37]=1