The first example of intramolecular nucleophilic addition of 1,4-diazabutatriene to ester is disclosed. This approach provides a facile and versatile synthesis for functionalized 2H-1,4-benzoxazines under metal-, reagent-, and solvent-free conditions. Experimental and computational studies revealed the pivotal role of 1,5-acyl migration as the self-catalytic step in the reaction selectivity.

中文翻译：

---

2-异氰基苯酚酯与苯并恶嗪的无金属和无溶剂多米诺反应：1,4-二氮杂丁三烯上的长程 1,5-酰基迁移

公开了 1,4-二氮杂丁三烯与酯的分子内亲核加成的第一个实例。该方法在无金属、试剂和溶剂的条件下提供了一种简便且通用的功能化 2 H -1,4-苯并嗪合成方法。实验和计算研究揭示了 1,5-酰基迁移作为自催化步骤在反应选择性中的关键作用。