HRID233501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

结构：CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5C[C@@H](C)O[C@@H](C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C

HCID10647003

未命名化合物

PRODUCTS

生成物

结构：CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5C[C@@H](C)O[C@@H](C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]

HCID131719788

未命名化合物

PROCEDURE

实验过程

With the cis-2,6-dimethyl-4-morpholinyl compound of Example 5 and citric acid as starting materials, (2β,3α,5α)-3-hydroxy-2-(cis-2,6-dimethyl-4-morpholinyl)pregnane-11,20-dione 2-hydroxy-1,2,3-propanetricarboxylate (1:1) salt was formed. [α]D +100.5° (c 1.09).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86b74d6301244aae84dc71bb1f9fc4c8
来源数据集: uspto-grants-1997_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05593983
来源说明: uspto-grants-1997_01

反应 SMILES

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