HRID1808757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

结构：CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=NOCCCCl)[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1

HCID86761754

未命名化合物

PRODUCTS

生成物

结构：CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=NOCCCn3ccnc3)[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1

HCID86761755

未命名化合物

PROCEDURE

实验过程

A mixture of 7-[O-(3-chloropropyl)oximino]-5-androstene-3β,17β-diol diacetate (23) (1 g, 2.08 mmol) and powdered imidazole (1.5 g) was fused at 110-120° C. for 5 h. The completion of reaction was monitored by TLC. The reaction was quenched with iced water to afford a the product 7-[O-{3-(imidazol-1-yl)propyl}oximino]-5-androstene-3β,17β-diol diacetate (24)

WORKUP

后处理

customThe completion of reaction
customThe reaction was quenched with iced water

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e27759a7ed8543b88fae50bf12671cc4
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08361996B2
来源说明: uspto-grants-2013_01

反应 SMILES

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