HRID80597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

结构：CCC[C@@H](NC(=O)N1CC(=NOCC)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(N)c1

HCID178448361

未命名化合物

PRODUCTS

生成物

结构：CCC[C@@H](NC(=O)N1CC(=NOCC)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(N)c1.Cl.Cl

HCID178448364

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

To the compound 102 (1.10 g) in an acetonitrile (44 ml) solution, a 4M hydrochloric acid in ethyl acetate solution (1.5 ml) was added, and the mixture was stirred at room temperature for 5 hours. The precipitated crystals were collected by filtration to obtain the title compound (1.03 g) as a colorless crystal.

WORKUP

后处理

filtrationThe precipitated crystals were collected by filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ceab900edd4098b6e1b4a99b5b0ffd
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846660B2
来源说明: uspto-grants-2014_09

反应 SMILES

[NH2:1][C:2]1[CH:10]=[C:9]([C@H:11]([NH:15][C:16]([N:18]2[C:24](=[O:25])[C@H:23]([CH2:26][C:27]3[CH:32]=[C:31]([Cl:33])[CH:30]=[CH:29][C:28]=3[O:34][CH3:35])[CH2:22][NH:21][C:20](=[N:36][O:37][CH2:38][CH3:39])[CH2:19]2)=[O:17])[CH2:12][CH2:13][CH3:14])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].C(#N)C.[ClH:43]>C(OCC)(=O)C>[ClH:33].[ClH:43].[NH2:1][C:2]1[CH:10]=[C:9]([C@H:11]([NH:15][C:16]([N:18]2[C:24](=[O:25])[C@H:23]([CH2:26][C:27]3[CH:32]=[C:31]([Cl:33])[CH:30]=[CH:29][C:28]=3[O:34][CH3:35])[CH2:22][NH:21][C:20](=[N:36][O:37][CH2:38][CH3:39])[CH2:19]2)=[O:17])[CH2:12][CH2:13][CH3:14])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5]