HRID1851883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12

HCID71074881

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12

HCID53239853

4′-[[5-[[[(1S)-1-(4-Bromophenyl)ethyl]amino]carbonyl]-2,3-dimethyl-1H-indol-1-yl]methyl][1,1′-biphenyl]-2-carboxylic acid

C33H29BrN2O3

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21863450

未命名化合物

PROCEDURE

实验过程

A mixture of (S)-tert-butyl 4′-((5-(1-(4-bromophenyl)ethylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylate (20 mg, 0.03 mmol) in TFA/DCM (1 mL, 30%) was stirred at rt for 2 h. The completion of the reaction was monitored by anal. HPLC. The solvent was removed to obtain the crude which was purified by reverse phase prep-HPLC (MeOH/Acetonitrile/water) to obtain the title compound. ESI-MS (m/z): 581/583 [M+H]+.

WORKUP

后处理

customThe solvent was removed
customto obtain the crude which
customwas purified by reverse phase prep-HPLC (MeOH/Acetonitrile/water)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74560c034cfd473e8c19ca2652a5268a
来源数据集: uspto-grants-2015_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08957093B2
来源说明: uspto-grants-2015_02

反应 SMILES

[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([NH:10][C:11]([C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[N:18]([CH2:22][C:23]2[CH:28]=[CH:27][C:26]([C:29]4[C:30]([C:35]([O:37]C(C)(C)C)=[O:36])=[CH:31][CH:32]=[CH:33][CH:34]=4)=[CH:25][CH:24]=2)[C:17]([CH3:42])=[C:16]3[CH3:43])=[O:12])[CH3:9])=[CH:4][CH:3]=1>C(O)(C(F)(F)F)=O.C(Cl)Cl>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([NH:10][C:11]([C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[N:18]([CH2:22][C:23]2[CH:28]=[CH:27][C:26]([C:29]4[C:30]([C:35]([OH:37])=[O:36])=[CH:31][CH:32]=[CH:33][CH:34]=4)=[CH:25][CH:24]=2)[C:17]([CH3:42])=[C:16]3[CH3:43])=[O:12])[CH3:9])=[CH:4][CH:3]=1