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submitted on 30.06.2020 and posted on 02.07.2020by Daria Timofeeva, David Lindsay, William Kerr, David Nelson
A pallette of commonly used directing groups, including various pharmaceutically relevant nitrogen-containing heterocycles,
are quantitatively ranked based on the results of intermolecular hydrogen isotope exchange competition reactions using
two iridium complexes: [Ir(COD)(IMes)(PPh3)][BArF24] and [IrCl(COD)(IMes)]. The directing group power scales that have
been constructred from these data reveal a wide range of reactivity covering four orders of magnitude. Intramolecular
competition experiments have demonstrated that the obtained reactivity scale provides accurate predictions of
regioselectivity within molecules with multiple competing directing groups. This work contributes to our understanding and
control of regioselectivity in metal-catalysed C-H activation reactions.