HRID509909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)COc1cccc(CCC[N+]2(CCCc3cccc(OCC(=O)OC)c3)CCC[C@H](NC(=O)c3nc(Cl)c(N)nc3N)C2)c1.O=C([O-])C(F)(F)F

HCID117856343

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(N)c(C(=O)N[C@H]2CCC[N+](CCCc3cccc(OCC(=O)O)c3)(CCCc3cccc(OCC(=O)O)c3)C2)nc1Cl.[Cl-]

HCID117856257

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

(S)3-[(3,5-Diamino-6-chloro-pyrazine-2-carbonyl)-amino]-1,1-bis-[3-(3-methoxycarbonylmethoxy-phenyl)-propyl]-piperidinium trifluoroacetate (2.67 g, 3.8 mmol)) is dissolved in dioxane (20 ml) and 6N HCl (20 ml, 120 mmol) and stirred at room temperature for 3 days and solvent is removed in vacuo. LC (method L)): tR=1.06 min; Mass spectrum (ESI+): m/z=655 [M]+.

WORKUP

后处理

customsolvent is removed in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-000057c990134e39b44dccb863faf61b
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09096548B2
来源说明: uspto-grants-2015_08

反应 SMILES

FC(F)(F)C([O-])=O.[NH2:8][C:9]1[C:10]([C:17]([NH:19][C@H:20]2[CH2:25][CH2:24][CH2:23][N+:22]([CH2:41][CH2:42][CH2:43][C:44]3[CH:49]=[CH:48][CH:47]=[C:46]([O:50][CH2:51][C:52]([O:54]C)=[O:53])[CH:45]=3)([CH2:26][CH2:27][CH2:28][C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH2:36][C:37]([O:39]C)=[O:38])[CH:30]=3)[CH2:21]2)=[O:18])=[N:11][C:12]([Cl:16])=[C:13]([NH2:15])[N:14]=1.Cl>O1CCOCC1>[Cl-:16].[C:52]([CH2:51][O:50][C:46]1[CH:45]=[C:44]([CH2:43][CH2:42][CH2:41][N+:22]2([CH2:26][CH2:27][CH2:28][C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH2:36][C:37]([OH:39])=[O:38])[CH:30]=3)[CH2:23][CH2:24][CH2:25][C@H:20]([NH:19][C:17]([C:10]3[C:9]([NH2:8])=[N:14][C:13]([NH2:15])=[C:12]([Cl:16])[N:11]=3)=[O:18])[CH2:21]2)[CH:49]=[CH:48][CH:47]=1)([OH:54])=[O:53]