HRID1407028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCCCC4)ccc3n2)c1.Cl.Cl

HCID66826315

未命名化合物

PRODUCTS

生成物

结构：CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCCCC4)ccc3n2)c1

HCID25012249

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-(piperidin-1-yl)ethoxy)quinazolin-2-yl)phenyl)butyramide di-hydrochloride salt (0.085 g, 0.137 mmol, 47% over two steps). MS 550 (M+1). HPLC retention time 4.67 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-adbca63559194f2a9b03e33940c23b9f
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08916576B2
来源说明: uspto-grants-2014_12

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][CH:19]=[C:20]([O:23][CH2:24][CH2:25][N:26]5[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]5)[CH:21]=4)[N:16]=[C:15]([C:32]4[CH:33]=[C:34]([NH:38][C:39](=[O:43])[CH2:40][CH2:41][CH3:42])[CH:35]=[CH:36][CH:37]=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][CH:19]=[C:20]([O:23][CH2:24][CH2:25][N:26]5[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]5)[CH:21]=4)[N:16]=[C:15]([C:32]4[CH:33]=[C:34]([NH:38][C:39](=[O:43])[CH2:40][CH2:41][CH3:42])[CH:35]=[CH:36][CH:37]=4)[N:14]=3)=[CH:9][CH:10]=2)[CH:5]=[N:4]1