HRID80588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC[C@@H](NC(=O)N1CC(=NNC(C)=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(N)c1C(C)(C)C

HCID178456085

未命名化合物

PRODUCTS

生成物

结构：CC[C@@H](NC(=O)N1Cc2nnc(C)n2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)OC(C)(C)C)c(N)c1

HCID86672194

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

CONDITIONS

反应条件

温度: 100 °C

PROCEDURE

实验过程

The compound 87a obtained at Step (1) (58.2 mg) was dissolved in 1,4-dioxane (1.5 ml), and the mixture was stirred at 100° C. for 30 minutes. The reaction solution was concentrated, then the residue was purified by flash column chromatography (silica gel, chloroform/ethyl acetate/methanol=7/7/2) to obtain tert-butyl 2-amino-4-[(1R)-1-({[(6S)-6-(5-chloro-2-methoxybenzyl)-3-methyl-7-oxo-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepin-8(9H)-yl]carbonyl}amino)propyl]benzoate (compound 87b) (33.4 mg).

WORKUP

后处理

concentrationThe reaction solution was concentrated
customthe residue was purified by flash column chromatography (silica gel, chloroform/ethyl acetate/methanol=7/7/2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d6e444a81d3494bbc8881ea4b467425
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

C([C:5]1[C:6]([NH2:43])=[C:7]([CH:11]=[CH:12][C:13]=1[C@H:14]([NH:17][C:18]([N:20]1[C:26](=[O:27])[C@@H:25]([CH2:28][C:29]2[CH:34]=[C:33]([Cl:35])[CH:32]=[CH:31][C:30]=2[O:36][CH3:37])[CH2:24][NH:23][C:22](=[N:38][NH:39][C:40](=O)[CH3:41])[CH2:21]1)=[O:19])[CH2:15][CH3:16])[C:8]([OH:10])=[O:9])(C)(C)C>O1CCOCC1>[NH2:43][C:6]1[CH:5]=[C:13]([C@H:14]([NH:17][C:18]([N:20]2[C:26](=[O:27])[C@@H:25]([CH2:28][C:29]3[CH:34]=[C:33]([Cl:35])[CH:32]=[CH:31][C:30]=3[O:36][CH3:37])[CH2:24][N:23]3[C:40]([CH3:41])=[N:39][N:38]=[C:22]3[CH2:21]2)=[O:19])[CH2:15][CH3:16])[CH:12]=[CH:11][C:7]=1[C:8]([O:10][C:7]([CH3:11])([CH3:8])[CH3:6])=[O:9]