A robust and reusable heteroatom-doped nanocatalyst for the synthesis of enol carbamates via oxidative coupling of formamides: molecular docking as potential leukocyte elastase inhibitors

The development of sustainable and efficient strategies for carbamate synthesis remains a key challenge in synthetic chemistry. Herein, we report a magnetic, MOF-derived copper catalyst (CoFe₂O₄@CNSCu) for the oxidative synthesis of enol carbamates under mild and environmentally benign conditions, using safer starting materials. The catalyst was obtained via thioacetamide-assisted pyrolysis of CoFe₂O₄@HKUST-1, resulting in a nitrogen/sulfur co-doped carbon matrix that provides high conductivity, stability, and uniform dispersion of Cu species. This architecture ensures efficient electron transfer and prevents metal aggregation during catalysis. The system enabled the selective synthesis of 45 enol carbamates exclusively as Z -isomers in high yields. Such stereochemical precision allowed for computational and molecular docking studies, which revealed favorable binding affinities of several carbamates toward leukocyte elastase (LE). Owing to its strong magnetic response and structural stability, the catalyst was easily recovered and reused for at least five consecutive cycles with negligible activity loss. Overall, this study demonstrates a robust, recyclable, and biologically relevant catalytic system derived from a magnetic MOF precursor through controlled carbonization and heteroatom doping.