Scholarlink

<p>The mechanism of formation of a new type of heterocyclic salts with the imidazolin-4-one fragment was studied by DFT quantum chemistry methods taking 3,3-dimethyl-1-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,5-<i>a</i>]-pyridin-4-ium 3-methoxypropane-1-sulfonate as an example. Having identified the key intermediates, transition states, and energy profile of possible reaction stages, the most plausible reaction pathways were established. The results obtained can be used to design drugs with various types of biological activity.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Reaction mechanism for the formation of a new type of heterocyclic salts with imidazolin-4-one ring: a quantum chemical study

  • 期刊论文

  • 发表日期：

    2025年12月1日

查看全文
  • A. R. Yusupova,
  • S. S. Borisevich,
  • E. M. Khamitov,
  • Yu. I. Baukov,
  • V. V. Negrebetsky

摘要

The mechanism of formation of a new type of heterocyclic salts with the imidazolin-4-one fragment was studied by DFT quantum chemistry methods taking 3,3-dimethyl-1-oxo-2,3-dihydro-1H-imidazo[1,5-a]-pyridin-4-ium 3-methoxypropane-1-sulfonate as an example. Having identified the key intermediates, transition states, and energy profile of possible reaction stages, the most plausible reaction pathways were established. The results obtained can be used to design drugs with various types of biological activity.