HRID1693473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15380702

tert-Butyl 4-(methylamino)piperidine-1-carboxylate

C11H22N2O2

结构：O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)O)c1cc2cc(Cl)ncc2[nH]1

HCID59753699

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NCC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1

HCID86601770

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to EXAMPLE 229 from 2-(S)-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)-propionic acid (EXAMPLE 228) and 4-methylaminopiperidine-1-carboxylic acid tert-butyl ester (Preparation 86). Purification by chromatography using dichloromethane/methanol (95:5) as the eluent gave the title compound as a pale yellow powder. m/z (ES+)=558.48 [M+H]+; RT=3.82 min.

WORKUP

后处理

customThe title compound was prepared
customPurification by chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7ff63c9acbd4013849b1b29dbc63e25
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08158622B2
来源说明: uspto-grants-2012_04

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]2[CH:10]=[C:9]([C:11]([NH:13][C@@H:14]([CH2:18][C:19]3[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=3)[C:15](O)=[O:16])=[O:12])[NH:8][C:5]2=[CH:6][N:7]=1.[C:26]([O:30][C:31]([N:33]1[CH2:38][CH2:37][CH:36]([NH:39][CH3:40])[CH2:35][CH2:34]1)=[O:32])([CH3:29])([CH3:28])[CH3:27]>>[C:26]([O:30][C:31]([N:33]1[CH2:34][CH2:35][CH:36]([NH:39][CH2:40][C:15](=[O:16])[C@@H:14]([NH:13][C:11]([C:9]2[NH:8][C:5]3=[CH:6][N:7]=[C:2]([Cl:1])[CH:3]=[C:4]3[CH:10]=2)=[O:12])[CH2:18][C:19]2[CH:20]=[CH:21][C:22]([F:25])=[CH:23][CH:24]=2)[CH2:37][CH2:38]1)=[O:32])([CH3:29])([CH3:28])[CH3:27]