HRID449418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734896

4-Phenoxyphenyl isocyanate

C13H9NO2

结构：CN1CCN(c2cc(-c3ccc4c(c3)CNCC4)nc(N)n2)CC1.Cl

HCID67541489

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)Nc3ccc(Oc5ccccc5)cc3)CC4)nc(N)n2)CC1

HCID49779705

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 5 starting from 4-phenoxyphenyl isocyanate (Aldrich, Cat. #478970) and 4-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine HCl salt. Analytic LCMS (M+H)+: m/z=536.2.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2077a0a743584dceadb3f3f808a5de4c
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08481732B2
来源说明: uspto-grants-2013_07

反应 SMILES

[O:1]([C:8]1[CH:13]=[CH:12][C:11]([N:14]=[C:15]=[O:16])=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[CH3:18][N:19]1[CH2:24][CH2:23][N:22]([C:25]2[CH:30]=[C:29]([C:31]3[CH:40]=[C:39]4[C:34]([CH2:35][CH2:36][NH:37][CH2:38]4)=[CH:33][CH:32]=3)[N:28]=[C:27]([NH2:41])[N:26]=2)[CH2:21][CH2:20]1>>[NH2:41][C:27]1[N:28]=[C:29]([C:31]2[CH:40]=[C:39]3[C:34]([CH2:35][CH2:36][N:37]([C:15]([NH:14][C:11]4[CH:12]=[CH:13][C:8]([O:1][C:2]5[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=5)=[CH:9][CH:10]=4)=[O:16])[CH2:38]3)=[CH:33][CH:32]=2)[CH:30]=[C:25]([N:22]2[CH2:21][CH2:20][N:19]([CH3:18])[CH2:24][CH2:23]2)[N:26]=1