HRID2176794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16772901

未命名化合物

结构：COC(=O)N1CC[C@H]2[C@@H]1CCC[C@]2(O)C#Cc1cccc(C)c1

HCID68276168

Methyl (3aS,4R,7aS)-octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylate

C19H23NO3

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)CCCC(=O)O[C@@]1(C#Cc2cccc(C)c2)CCC[C@@H]2[C@H]1CCN2C(=O)OC

HCID60141047

未命名化合物

PROCEDURE

实验过程

Synthesis in analogy to the General Method 1 starting from (3aS,4R,7aS)-4-hydroxy-4-m-tolylethynyl-octahydro-indole-1-carboxylic acid methyl ester and 4-dipropylcarbamoyl-butyric acid to yield (3aR,4S,7aR)-methyl 4-(5-(dipropylamino)-5-oxopentanoyloxy)-4-(m-tolylethynyl)octahydro-1H-indole-1-carboxylate. MS [2M+H+NH4]=1039; RT=1.41 min; UPLC Method I

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e6596db2b384b368dec7bdcf0d6d97c
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09067881B2
来源说明: uspto-grants-2015_06

反应 SMILES

[CH3:1][O:2][C:3]([N:5]1[C@@H:13]2[C@@H:8]([C@@:9]([OH:23])([C:14]#[C:15][C:16]3[CH:17]=[C:18]([CH3:22])[CH:19]=[CH:20][CH:21]=3)[CH2:10][CH2:11][CH2:12]2)[CH2:7][CH2:6]1)=[O:4].[CH2:24]([N:27]([CH2:36][CH2:37][CH3:38])[C:28]([CH2:30][CH2:31][CH2:32][C:33](O)=[O:34])=[O:29])[CH2:25][CH3:26]>>[CH2:36]([N:27]([CH2:24][CH2:25][CH3:26])[C:28](=[O:29])[CH2:30][CH2:31][CH2:32][C:33]([O:23][C@@:9]1([C:14]#[C:15][C:16]2[CH:17]=[C:18]([CH3:22])[CH:19]=[CH:20][CH:21]=2)[CH2:10][CH2:11][CH2:12][C@@H:13]2[C@H:8]1[CH2:7][CH2:6][N:5]2[C:3]([O:2][CH3:1])=[O:4])=[O:34])[CH2:37][CH3:38]