HRID551964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

HCID8567

(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentol

C7H17NO5

结构：CCCCc1ccc(C#Cc2ccc(CN(CC3CC3)c3ccc(F)c(C(=O)O)c3)cc2)cc1

HCID11714399

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(CC3CC3)c3ccc(F)c(C(=O)O)c3)cc2)cc1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

HCID11714398

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following procedure described in example 24 from 5-[{4-[(4-butylphenyl)ethynyl]benzyl}(cyclopropylmethyl)amino]-2-fluorobenzoic acid (200 mg; 0.44 mmol) and N-methyl-D-glucamine (86 mg; 0.44 mmol) and obtained quantitatively as a brown powder. HPLC, Rt: 5.35 min purity: 98.7%), LC/MS, M−(ESI): 454.1. Analysis calculated for C30H30NO2F—C7H17−NO5-0.5 CH2Cl2-3.0 H20: calculated C, 60.27%, H, 7.28%, N, 3.75%; Found: C, 60.50%, H, 6.96%, N, 3.92%.

WORKUP

后处理

customobtained quantitatively as a brown powder

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6411da389069488fb0a4dfa6d96652d3
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07947851B2
来源说明: uspto-grants-2011_05

反应 SMILES

[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:34]=[CH:33][C:16]([CH2:17][N:18]([CH2:29][CH:30]3[CH2:32][CH2:31]3)[C:19]3[CH:20]=[CH:21][C:22]([F:28])=[C:23]([CH:27]=3)[C:24]([OH:26])=[O:25])=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].[CH3:35][NH:36][CH2:37][C@@H:38]([C@H:40]([C@@H:42]([C@@H:44]([CH2:46][OH:47])[OH:45])[OH:43])[OH:41])[OH:39]>>[CH3:35][NH:36][CH2:37][C@@H:38]([C@H:40]([C@@H:42]([C@@H:44]([CH2:46][OH:47])[OH:45])[OH:43])[OH:41])[OH:39].[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]#[C:12][C:13]2[CH:34]=[CH:33][C:16]([CH2:17][N:18]([CH2:29][CH:30]3[CH2:31][CH2:32]3)[C:19]3[CH:20]=[CH:21][C:22]([F:28])=[C:23]([CH:27]=3)[C:24]([OH:26])=[O:25])=[CH:15][CH:14]=2)=[CH:9][CH:10]=1)[CH2:2][CH2:3][CH3:4]