Scholarlink

<p></p><p>The cycloaddition of the 3,4-dihydro-2<i>H</i>-pyrrole 1-oxide with <i>trans</i>-but-2-enol was investigated in detail at the B3LYP/6-31G(d), M062X/6-31G(d), and ωB97XD/6-311G(d,p) theoretical levels. The nucleophilic and electrophilic natures as well as the most reactive sites of both reactants have been determined <i>via</i> global and local indices. This study successfully revealed the mechanism of the reaction, and the formed products were found to be favored products with one of them being slightly more stable. A good agreement to the experimental outcomes has been established.</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

Understanding the mechanism of the (3+2) cycloaddition reaction of 3,4-dihydro-2H-pyrrole 1-oxide with trans-but-2-enol

  • 期刊论文

  • 发表日期：

    2025年8月1日

查看全文
  • Boulanouar Messaoudi

摘要

The cycloaddition of the 3,4-dihydro-2H-pyrrole 1-oxide with trans-but-2-enol was investigated in detail at the B3LYP/6-31G(d), M062X/6-31G(d), and ωB97XD/6-311G(d,p) theoretical levels. The nucleophilic and electrophilic natures as well as the most reactive sites of both reactants have been determined via global and local indices. This study successfully revealed the mechanism of the reaction, and the formed products were found to be favored products with one of them being slightly more stable. A good agreement to the experimental outcomes has been established.