HRID77520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C[N+]12CCC(CC1)[C@H](NC(N)=NC(=O)c1nc(Cl)c(N)nc1N)C2.[Cl-]

HCID178451188

未命名化合物

2 次

PRODUCTS

生成物

结构：Cl.NC(=NC(=O)c1nc(Cl)c(N)nc1N)N[C@@H]1C[N+]2(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)CCC1CC2.[Cl-]

HCID178479361

未命名化合物

收率 114.9%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3283

Diethyl Ether

C4H10O

PROCEDURE

实验过程

A mixture of 140 mg (0.22 mmol) (S)-1-[((S)-1-tert-butoxycarbonyl-2-phenyl-ethylcarbamoyl)-methyl]-3-[N′-(3,5-diamino-6-chloro-pyrazine-2-carbonyl)-guanidino]-1-azonia-bicyclo-[2.2.2]-octane chloride (Intermediate 59) and 6.2 mL (12.4 mmol) HCl (2 M) in diethyl ether is stirred overnight at room temperature. The resulting solid is collected by filtration and washed with diethyl ether. Recrystallization from acetone yields the title compound (78 mg).

WORKUP

后处理

filtrationThe resulting solid is collected by filtration
washwashed with diethyl ether
customRecrystallization from acetone

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae739132a620495d93c782a5262e5c44
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08841309B2
来源说明: uspto-grants-2014_09

反应 SMILES

[Cl-:1].C([O:6][C:7]([C@@H:9]([NH:17][C:18]([CH2:20][N+:21]12[CH2:28][CH2:27][CH:24]([CH2:25][CH2:26]1)[C@H:23]([NH:29][C:30]([NH2:43])=[N:31][C:32]([C:34]1[C:39]([NH2:40])=[N:38][C:37]([NH2:41])=[C:36]([Cl:42])[N:35]=1)=[O:33])[CH2:22]2)=[O:19])[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:8])(C)(C)C.Cl>C(OCC)C>[ClH:42].[Cl-:1].[C:7]([C@@H:9]([NH:17][C:18]([CH2:20][N+:21]12[CH2:28][CH2:27][CH:24]([CH2:25][CH2:26]1)[C@H:23]([NH:29][C:30]([NH2:43])=[N:31][C:32]([C:34]1[C:39]([NH2:40])=[N:38][C:37]([NH2:41])=[C:36]([Cl:42])[N:35]=1)=[O:33])[CH2:22]2)=[O:19])[CH2:10][C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1)([OH:8])=[O:6]