HRID2187270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：C[C@H](CCC(=O)Nc1ccccc1)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC3

HCID69411982

未命名化合物

PRODUCTS

生成物

结构：C[C@H](CCC(=O)Nc1ccccc1)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3

HCID69410918

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

3β-tert-Butyldimethylsilyloxy-4,4-dimethyl-5α-chola-8,14-dien-24-oic acid-N-phenyl amide (50 mg) is dissolved in 5 ml of ethanol, 0.2 ml of 6N hydrogen chloride is added and the mixture is stirred at room temperature overnight. After aqueous work-up and crystallization from methanol the title compound is obtained. (36 mg). H-NMR (CDCl3, 400 MHz): δ=7.53 (2H, d); 7.33 (2H, t); 7.18 (1H, s); 7.12 (1H, t); 5.36 (1H, s); 3.26 (1H, m). MS: Calculated: 475.7. Found: 475.4.

WORKUP

后处理

customAfter aqueous work-up and crystallization from methanol the title compound
customis obtained

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab601b49a9174487b6b856c9293873d0
来源数据集: uspto-grants-2002_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06407086B2
来源说明: uspto-grants-2002_06

反应 SMILES

[C:1]1([NH:7][C:8](=[O:42])[CH2:9][CH2:10][C@H:11]([C@@H:13]2[C@:30]3([CH3:31])[C:16]([C:17]4[CH2:18][CH2:19][C@@H:20]5[C@:25]([C:27]=4[CH2:28][CH2:29]3)([CH3:26])[CH2:24][CH2:23][C@H:22]([O:32][Si](C(C)(C)C)(C)C)[C:21]5([CH3:41])[CH3:40])=[CH:15][CH2:14]2)[CH3:12])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl>C(O)C>[C:1]1([NH:7][C:8](=[O:42])[CH2:9][CH2:10][C@H:11]([C@@H:13]2[C@:30]3([CH3:31])[C:16]([C:17]4[CH2:18][CH2:19][C@@H:20]5[C@:25]([C:27]=4[CH2:28][CH2:29]3)([CH3:26])[CH2:24][CH2:23][C@H:22]([OH:32])[C:21]5([CH3:41])[CH3:40])=[CH:15][CH2:14]2)[CH3:12])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1