Synthesis and Characterization of Magnetic Palladium/Carbon as Effective Heterogenous Catalyst for the Transformation of Nitriles Into Amides in Water

ABSTRACT We present a new efficient catalytic hydration of nitriles into amides using a heterogeneous catalyst prepared from commercially available carbon‐supported palladium (Pd/C) and ferrous magnetic nanoparticles (Fe 3 O 4 ). The resulting nanocomposite, namely, Pd/C‐Fe 3 O 4 , was characterized using X‐ray diffraction (XRD), scanning electron microscopy (SEM), inductively coupled plasma (ICP) analysis, thermogravimetric analysis (TGA), and variable‐field magnetization measurements. We systematically optimized the hydration reaction conditions by adjusting catalyst loading, temperature, and solvent type, testing various nitrile derivatives, including those with electron‐donating and electron‐withdrawing groups, as well as heterocyclic and aliphatic nitriles. The Pd/C‐Fe 3 O 4 catalyst proved to be highly effective in the hydration of a variety of nitrile derivatives in water at 100°C, resulting in good to excellent yields without the need for strong acid or base additives. Importantly, the catalyst can be reused for at least three catalytic cycles without significant loss of activity and can easily be recovered by applying an external magnet. Additionally, we employed graph neural network models (GCN, GAT, and GAN) and molecular docking studies to assess the amide products obtained. Validation metrics indicate that the 2c amide molecule has potential to inhibit Bacillus subtilis .