HRID2090324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID42614593

Methyl 4-(piperidin-4-yl)benzoate--hydrogen chloride (1/1)

C13H18ClNO2

结构：CN1CCN(c2cc(N3CCc4ccc(Br)cc4C3)nc(N)n2)CC1

HCID46701048

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cc(N3CCc4ccc(N5CCC(c6ccc(C(=O)O)cc6)CC5)cc4C3)nc(N)n2)CC1

HCID59402327

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 36 starting from 4-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine and methyl 4-(piperidin-4-yl)benzoate hydrochloride (APAC Pharm. LLC, Cat. No. 875920). LCMS (M+H)+: m/z=528.3.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7daedc56b1de4b0594494814a7613d46
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08436008B2
来源说明: uspto-grants-2013_05

反应 SMILES

Br[C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][N:8]([C:12]3[CH:17]=[C:16]([N:18]4[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]4)[N:15]=[C:14]([NH2:25])[N:13]=3)[CH2:9]2)=[CH:4][CH:3]=1.Cl.[NH:27]1[CH2:32][CH2:31][CH:30]([C:33]2[CH:42]=[CH:41][C:36]([C:37]([O:39]C)=[O:38])=[CH:35][CH:34]=2)[CH2:29][CH2:28]1>>[NH2:25][C:14]1[N:13]=[C:12]([N:8]2[CH2:7][CH2:6][C:5]3[C:10](=[CH:11][C:2]([N:27]4[CH2:32][CH2:31][CH:30]([C:33]5[CH:42]=[CH:41][C:36]([C:37]([OH:39])=[O:38])=[CH:35][CH:34]=5)[CH2:29][CH2:28]4)=[CH:3][CH:4]=3)[CH2:9]2)[CH:17]=[C:16]([N:18]2[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]2)[N:15]=1