HRID61683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CC[C@H](N(C)C)C4)c(OC)cc3n2)c1.Cl.Cl

HCID66826252

未命名化合物

PRODUCTS

生成物

结构：CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CC[C@H](N(C)C)C4)c(OC)cc3n2)c1

HCID25012568

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID313

Hydrochloric Acid

ClH

PROCEDURE

实验过程

The purified solid was taken up in HCl (4M in 1,4 dioxane, 2 mL) and stirred at RT for 2 h. The volatiles were removed in vacuo to give N-(3-(4-(1H-indazol-5-ylamino)-6-(2-((S)-3-(dimethylamino)pyrrolidin-1-yl)ethoxy)-7-methoxyquinazolin-2-yl) phenyl) butyramide di-hydrochloride salt (0.090 g, 0.132 mmol, 44% over two steps). MS 609 (M+1). HPLC retention time 4.30 mins.

WORKUP

后处理

customThe volatiles were removed in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f579beaf8bfa4e0e9aff9aaa3e09098f
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09440961B2
来源说明: uspto-grants-2016_09

反应 SMILES

Cl.Cl.[NH:3]1[C:11]2[C:6](=[CH:7][C:8]([NH:12][C:13]3[C:22]4[C:17](=[CH:18][C:19]([O:34][CH3:35])=[C:20]([O:23][CH2:24][CH2:25][N:26]5[CH2:30][CH2:29][C@H:28]([N:31]([CH3:33])[CH3:32])[CH2:27]5)[CH:21]=4)[N:16]=[C:15]([C:36]4[CH:37]=[C:38]([NH:42][C:43](=[O:47])[CH2:44][CH2:45][CH3:46])[CH:39]=[CH:40][CH:41]=4)[N:14]=3)=[CH:9][CH:10]=2)[CH:5]=[N:4]1>Cl>[NH:3]1[C:11]2[C:6](=[CH:7][C:8]([NH:12][C:13]3[C:22]4[C:17](=[CH:18][C:19]([O:34][CH3:35])=[C:20]([O:23][CH2:24][CH2:25][N:26]5[CH2:30][CH2:29][C@H:28]([N:31]([CH3:33])[CH3:32])[CH2:27]5)[CH:21]=4)[N:16]=[C:15]([C:36]4[CH:37]=[C:38]([NH:42][C:43](=[O:47])[CH2:44][CH2:45][CH3:46])[CH:39]=[CH:40][CH:41]=4)[N:14]=3)=[CH:9][CH:10]=2)[CH:5]=[N:4]1