HRID706591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID231184

1-(2-Hydroxyethyl)-4-methylpiperazine

C7H16N2O

HCID10953452

未命名化合物

HCID67974054

未命名化合物

结构：Cc1nn(Cc2cccc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(Cl)ccn34)c12

HCID67975863

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

收率 45%

结构：Cc1nn(Cc2ccn(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.Cl.Cl

HCID86699330

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

Prepared according to Example 7, Step F, substituting 7-chloro-N-(1-((1-isopropyl-1H-pyrazol-3-yl)methyl)-3-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide for 7-chloro-N-(1-((6-isopropylpyridin-2-yl)methyl)-3-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide and 2-(4-methylpiperazin-1-yl)ethanol for 2-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)ethanol. The HCl salt was prepared by subjecting the compound to 4M HCl/ether (20 equivalents) in methanol and concentrating under reduced pressure to give the bis-HCl salt (45%). MS (APCI), positive scan, m/z=556.3 (M+H).

WORKUP

后处理

customPrepared
concentrationconcentrating under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-598ee1da835646dcb2170ac9db76ee87
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09174981B2
来源说明: uspto-grants-2015_11

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][N:5]2[C:8]([C:11]([NH:13][C:14]3[CH:22]=[CH:21][CH:20]=[C:19]4[C:15]=3[C:16]([CH3:33])=[N:17][N:18]4[CH2:23][C:24]3[CH:29]=[CH:28]C=C(C(C)C)[N:25]=3)=[O:12])=[CH:9][N:10]=[C:4]2[CH:3]=1.[CH3:34][N:35]1[CH2:40][CH2:39][N:38]([CH2:41][CH2:42][OH:43])[CH2:37][CH2:36]1.C[C@H]1[N:50](C)[C@@H:49]([CH3:52])[CH2:48]N(CCO)C1.[ClH:56].CCOCC>CO>[ClH:1].[ClH:56].[CH:49]([N:50]1[CH:28]=[CH:29][C:24]([CH2:23][N:18]2[C:19]3[C:15](=[C:14]([NH:13][C:11]([C:8]4[N:5]5[CH:6]=[CH:7][C:2]([O:43][CH2:42][CH2:41][N:38]6[CH2:39][CH2:40][N:35]([CH3:34])[CH2:36][CH2:37]6)=[CH:3][C:4]5=[N:10][CH:9]=4)=[O:12])[CH:22]=[CH:21][CH:20]=3)[C:16]([CH3:33])=[N:17]2)=[N:25]1)([CH3:52])[CH3:48].[ClH:1]