HRID80590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC[C@@H](NC(=O)N1Cc2nccn2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)OC(C)(C)C)c(N)c1

HCID86672196

未命名化合物

PRODUCTS

生成物

结构：CC[C@@H](NC(=O)N1Cc2nccn2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(N)c1.Cl

HCID86672198

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

溶剂HCID313

Hydrochloric Acid

ClH

PROCEDURE

实验过程

The compound 89b obtained at Step (2) (27.2 mg) was dissolved in a 1M hydrochloric acid in acetic acid solution, then the mixture was stirred at room temperature for 3 hours. The precipitated solid was collected by filtration to obtain the title compound (17.8 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-a229a169a6f341c9b1d674310c68c966
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:18][C:19]([N:21]2[C:27](=[O:28])[C@@H:26]([CH2:29][C:30]3[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][C:31]=3[O:37][CH3:38])[CH2:25][N:24]3[CH:39]=[CH:40][N:41]=[C:23]3[CH2:22]2)=[O:20])[CH2:16][CH3:17])[CH:12]=[CH:11][C:3]=1[C:4]([O:6]C(C)(C)C)=[O:5]>Cl.C(O)(=O)C>[ClH:36].[NH2:1][C:2]1[CH:14]=[C:13]([C@H:15]([NH:18][C:19]([N:21]2[C:27](=[O:28])[C@@H:26]([CH2:29][C:30]3[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][C:31]=3[O:37][CH3:38])[CH2:25][N:24]3[CH:39]=[CH:40][N:41]=[C:23]3[CH2:22]2)=[O:20])[CH2:16][CH3:17])[CH:12]=[CH:11][C:3]=1[C:4]([OH:6])=[O:5]