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(A). 3D structures of optimized intermediates 4X,n (X = +, Cl or MeO, n = 1 or 2). H in white, C in grey, O in red, B in pink, Cu in orange, and Cl in green. (B). Structures of intermediates and transition states involved in the B-to-Cu transmetalation (see Table 1 for the associated energies). See Figures S15 and S16 for alternative solvation states.
