HRID2090326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

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

HCID59402327

未命名化合物

PRODUCTS

生成物

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

HCID46701524

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

This compound was prepared by using procedures analogous to those described for the synthesis of Example 18 starting from 4-(1-{2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}piperidin-4-yl)benzoic acid and ammonia solution in water. LCMS (M+H)+: m/z=527.3.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeee6eee65444e3189e99572fa37d9fb
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

[NH2:1][C:2]1[N:7]=[C:6]([N:8]2[CH2:17][CH2:16][C:15]3[C:10](=[CH:11][C:12]([N:18]4[CH2:23][CH2:22][CH:21]([C:24]5[CH:32]=[CH:31][C:27]([C:28]([OH:30])=O)=[CH:26][CH:25]=5)[CH2:20][CH2:19]4)=[CH:13][CH:14]=3)[CH2:9]2)[CH:5]=[C:4]([N:33]2[CH2:38][CH2:37][N:36]([CH3:39])[CH2:35][CH2:34]2)[N:3]=1.[NH3:40]>O>[NH2:1][C:2]1[N:7]=[C:6]([N:8]2[CH2:17][CH2:16][C:15]3[C:10](=[CH:11][C:12]([N:18]4[CH2:19][CH2:20][CH:21]([C:24]5[CH:32]=[CH:31][C:27]([C:28]([NH2:40])=[O:30])=[CH:26][CH:25]=5)[CH2:22][CH2:23]4)=[CH:13][CH:14]=3)[CH2:9]2)[CH:5]=[C:4]([N:33]2[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]2)[N:3]=1