The interactions between substituted 5-R-3-(pyridyl-2)-1,2,4-triazines with in situ generated substituted aryne intermediates have been studied. The reaction afforded either inverse demand (ID) aza-Diels–Alder products or 1,2,4-triazine ring rearrangement (domino) products as major ones depending on the nature of both the substituents at the C5 position of the 1,2,4-triazine core or in the aryne moiety. The structures of the key products were confirmed based on X-ray data. Based on the density functional theoretical (DFT) studies of the Diels–Alder transition state geometries, the influence of the nature of arynes on the direction of the 1,2,4-triazine transformation has been proposed.

中文翻译：

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5- R -3-（2-吡啶基）-1,2,4-三嗪与芳烃相互作用的研究：逆需求aza-Diels–Alder反应与芳烃介导的多米诺过程†

已经研究了取代的5 - R -3-（吡啶基-2）-1,2,4-三嗪与原位生成的取代的芳烃中间体之间的相互作用。根据1,2,5碳原子上两个取代基的性质，反应可提供反需求（ID）的aza-Diels-Alder产品或1,2,4-三嗪环重排（domino）产品作为主要产品。 4-三嗪核或在芳烃部分。根据X射线数据确定了关键产品的结构。基于Diels–Alder过渡态几何的密度泛函理论（DFT）研究，提出了芳烃性质对1,2,4-三嗪转化方向的影响。