We investigate this Pd-mediated transformation from the viewpoint of complexity, rather than optimization of a major species, to facilitate a deeper and more meaningful understanding of the reaction mechanism. This comprehensive study uses a data science approach (Scheme 1) to systematically examine the extent of product and sideproduct formation in relation to solvent, temperature and reaction time. This approach allows a fuller understanding of the reaction network, providing new insight and advanced chemical knowledge. Moreover, information on the appearance of side-products offers opportunities in reaction discovery that might be useful from a safety perspective.