Metal nanoparticles are currently being used as substantial catalysts for a number of classical chemical transformations. In contrast, performing novel biochemical reactions with the help of nano‐organocatalysts is highly underdeveloped area in chemical synthesis. In order to prepare an efficient nano‐organocatalyst, facilitated stable covalent bonding would be achieved by using Diels‐Alder reactions on the surface of magnetic nanoparticles. Herein, we report the synthesis of magnetic nano‐organocatalysts by using Fe3O4 nanoparticle coated by SiO2 network and functionalized with vinylsilane, as dienophile moiety of Diels‐Alder reactions. In this work, palladium(II) is used as an instrumental catalyst for Diels‐Alder reaction, as well.

Proportional to considerable progress in protein–drug conjugations, attention to the efficient peptide coupling reagents is being increased. Hence, in this study, a versatile heterogeneous nanoscale reagent is presented for chemical, biological, and medical purposes. A combination of silver and silica-coated iron oxide nanoparticles (Ag/Fe 3 O 4 ) has been well functionalized with isothiazolone rings via a silver-modified Heck mechanism. An appropriate condition is provided for peptide bond formation through the surface interplay between silanol groups and the loaded isothiazolone rings. A logical mechanism including a series of successive covalent bonds onto the surface of Ag/Fe 3 O 4 nanocomposites is suggested for this catalyzed peptide bond formation. Accurate comparisons have been made to obtain the optimum value of the nanocatalyst and suitable conditions. As an additional application, the biological activity of the desired product has also been investigated through antibacterial assay tests. The results showed that our desired product could also be used as an effective heterogeneous nanoscale antibacterial agent for different purposes. In this regard, all of the essential structural and practical analyses have been carried out and precisely interpreted.