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The mechanism and enantioselectivity of the asymmetric Baeyer–Villiger oxidation reaction between 4‐phenylcyclohexanone and m‐chloroperoxobenzoic acid (m‐CPBA) catalyzed by ScIII–N,N′‐dioxide complexes were investigated theoretically. The calculations indicated that the first step, corresponding to the addition of m‐CPBA to the carbonyl group of 4‐phenylcyclohexanone, is the rate‐determining step...
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