化学
环加成
部分
脚手架
醌甲酰胺
立体化学
组合化学
原位
反应机理
机制(生物学)
三氟甲基
密度泛函理论
反应中间体
反应条件
有机化学
作者
Yuto Ide,Takeshi Yasui,Yoshihiko Yamamoto
摘要
We investigated the reaction of in situ generated 1‐(pyrimidin‐2‐yl)‐3‐oxidopyridiniums with a trifluoromethylated o ‐quinone methide and discovered that unexpected bridged N‐heterocycles bearing an N, O‐acetal moiety were predominantly formed via a (5 + 4) cycloaddition occurring at the 2‐ and 6‐positions of the oxidopyridinium ring. To rationalize the unusual regioselectivity, a non‐concerted mechanism was proposed based on density functional theory calculations.
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