HRID406974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81574

1-Methylpiperidine-4-methylamine

C7H16N2

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：CN1CCC(CNC(=O)c2cccc(-c3ccc4c(c3)ncn4-c3cccc(NC(=O)NCC(F)(F)F)c3)c2)CC1

HCID57386156

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 1-(1-methylpiperidin-4-yl)methanamine (Matrix Sci., Cat. No. 016352). LCMS (M+H)+: m/z=565.3.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc9cdbc472bf41b5b3a12e2d8f42dd2f
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]([OH:28])=O)=[CH:22][C:17]=3[N:16]=[CH:15]2)[CH:11]=[CH:12][CH:13]=1)=[O:6].[CH3:34][N:35]1[CH2:40][CH2:39][CH:38]([CH2:41][NH2:42])[CH2:37][CH2:36]1>>[CH3:34][N:35]1[CH2:40][CH2:39][CH:38]([CH2:41][NH:42][C:26](=[O:28])[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:1])([F:32])[F:33])=[O:6])[CH:9]=5)[CH:15]=[N:16][C:17]=4[CH:22]=3)[CH:24]=2)[CH2:37][CH2:36]1