HRID1077013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

结构：C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CSC(=O)CN4CCOCC4)[C@@]3(C)CC(=O)[C@@H]12

HCID22795173

未命名化合物

PRODUCTS

生成物

结构：C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CSC(=O)CN4CCOCC4)[C@@]3(C)CC(=O)[C@@H]12.O=C(O)CC(O)(CC(=O)O)C(=O)O

HCID86733471

未命名化合物

PROCEDURE

实验过程

A mixture of 21-morpholinoacetylthio-3α -hydroxy-5α-pregnane-11,20 -dione (245.8 mg., 0.5 mmole) and 0.1 M aqueous citric acid (10 ml., 1.0 mmole) was shaken vigorously for 30 minutes. The undissolved solid (138 mg.) was removed by filtration and the filtrate was assumed to contain 107 mg. of free steroidal base as its citrate in 10 ml. of solution. The filtrate was therefore an approximately 1% aqueous solution of the title compound.

WORKUP

后处理

customThe undissolved solid (138 mg.) was removed by filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98714f03ac454fe9b1b105332b4830d0
来源数据集: uspto-grants-1976_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US03959260
来源说明: uspto-grants-1976_05

反应 SMILES

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