HRID1242766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1

HCID58714303

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1

HCID10303131

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

The title compound was prepared according to the procedure described in Preparation XVI by using methyl 2-{4-[(2R)-2-({(3S)-2-[(tert-butyl)oxycarbonyl](3-1,2,3,4-tetrahydroisoquinolyl)}carbonylamino)-3-(4-chlorophenyl)propanoyl]piperazinyl}benzoate (Preparation XVII) (140 mg, 0.21 mmol) and a satd soln of HCl in EtOAc (5 mL). The title compound was isolated by filtration as a white solid, and purified by preparative HPLC (62 mg). MS (ESI, pos.ion) m/z: 561 (M+H). Calc'd for C31H33ClN4O4: 560.22.

WORKUP

后处理

customThe title compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad4814786026411a85913fa44e2a0d5e
来源数据集: uspto-grants-2006_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07115607B2
来源说明: uspto-grants-2006_10

反应 SMILES

C(OC([N:8]1[C@H:17]([C:18]([NH:20][C@H:21]([CH2:40][C:41]2[CH:46]=[CH:45][C:44]([Cl:47])=[CH:43][CH:42]=2)[C:22]([N:24]2[CH2:29][CH2:28][N:27]([C:30]3[CH:39]=[CH:38][CH:37]=[CH:36][C:31]=3[C:32]([O:34][CH3:35])=[O:33])[CH2:26][CH2:25]2)=[O:23])=[O:19])[CH2:16][C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH2:9]1)=O)(C)(C)C.Cl>CCOC(C)=O>[CH2:9]1[C:10]2[C:15](=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:16][C@@H:17]([C:18]([NH:20][C@H:21]([CH2:40][C:41]2[CH:46]=[CH:45][C:44]([Cl:47])=[CH:43][CH:42]=2)[C:22]([N:24]2[CH2:25][CH2:26][N:27]([C:30]3[CH:39]=[CH:38][CH:37]=[CH:36][C:31]=3[C:32]([O:34][CH3:35])=[O:33])[CH2:28][CH2:29]2)=[O:23])=[O:19])[NH:8]1