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Computed energy profile (DLPNO-CCSD(T)/def2-TZVPP//r2SCAN-3c) for the homologation of phenyl isocyanide under inclusion of solvation effects in benzene. Energy values relate to G(G, respectively) in respect to1andPhNC, distances are given in []. For the reaction of1and BhpNC, see Figure S92; for the reaction of1and PhNC in THF, see Figure S93.
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