HRID1179340

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)CC1CCN(CC(=O)NC2CCC(CNc3nc4ccccc4[nH]3)CC2)C(=O)c2ccccc21

HCID86591658

未命名化合物

PRODUCTS

生成物

结构：Cl.O=C(O)CC1CCN(CC(=O)NC2CCC(CNc3nc4ccccc4[nH]3)CC2)C(=O)c2ccccc21

HCID86591659

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

Analogously to Example II, the t-butyl ester (Example V) in glacial acetic acid was cleaved using 4N HCl in dioxane. After freeze-drying, 0.45 g of white amorphous hydrochloride remained; ESI-MS [M+H+]: 504.

WORKUP

后处理

customAfter freeze-drying

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c061b41f8a44b4c806401cb8b9dd7d3
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07279468B2
来源说明: uspto-grants-2007_10

反应 SMILES

[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][CH2:11][CH:12]1[CH2:17][CH2:16][CH:15]([NH:18][C:19](=[O:41])[CH2:20][N:21]2[CH2:27][CH2:26][CH:25]([CH2:28][C:29]([O:31]C(C)(C)C)=[O:30])[C:24]3[CH:36]=[CH:37][CH:38]=[CH:39][C:23]=3[C:22]2=[O:40])[CH2:14][CH2:13]1.[ClH:42]>C(O)(=O)C.O1CCOCC1>[ClH:42].[C:29]([CH2:28][CH:25]1[C:24]2[CH:36]=[CH:37][CH:38]=[CH:39][C:23]=2[C:22](=[O:40])[N:21]([CH2:20][C:19]([NH:18][CH:15]2[CH2:14][CH2:13][CH:12]([CH2:11][NH:10][C:2]3[NH:1][C:5]4[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=4[N:3]=3)[CH2:17][CH2:16]2)=[O:41])[CH2:27][CH2:26]1)([OH:31])=[O:30]