HRID80576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

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

HCID178448359

未命名化合物

PRODUCTS

生成物

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

HCID178448360

未命名化合物

收率 87.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

To the compound 21 (16 mg), 1 M hydrochloric acid in acetic acid solution was added, and the mixture was stirred at room temperature for 4 hours. To the reaction solution, toluene (5 ml) was added and the precipitated solid was collected by filtration to obtain the title compound (12.7 mg).

WORKUP

后处理

filtrationthe precipitated solid was collected by filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcd5ed3f568e4cf29d9b2b1918b3a1ac
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:14]=[C:13]([C@H:15]([NH:19][C:20]([N:22]2[C:28](=[O:29])[C@@H:27]([CH2:30][C:31]3[CH:36]=[C:35]([Cl:37])[CH:34]=[CH:33][C:32]=3[O:38][CH3:39])[CH2:26][NH:25][C:24](=[N:40][N:41]([CH3:43])[CH3:42])[CH2:23]2)=[O:21])[CH2:16][CH2:17][CH3:18])[CH:12]=[CH:11][C:3]=1[C:4]([O:6]C(C)(C)C)=[O:5].Cl.C1(C)C=CC=CC=1>C(O)(=O)C>[NH2:1][C:2]1[CH:14]=[C:13]([C@H:15]([NH:19][C:20]([N:22]2[C:28](=[O:29])[C@@H:27]([CH2:30][C:31]3[CH:36]=[C:35]([Cl:37])[CH:34]=[CH:33][C:32]=3[O:38][CH3:39])[CH2:26][NH:25][C:24](=[N:40][N:41]([CH3:43])[CH3:42])[CH2:23]2)=[O:21])[CH2:16][CH2:17][CH3:18])[CH:12]=[CH:11][C:3]=1[C:4]([OH:6])=[O:5]