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The stereoselective, rhodium‐catalysed aziridination of styrene derivatives with a chiral N‐mesyloxycarbamate was found to be highly substrate dependent. A density functional theory (DFT) study is herein reported to elucidate the stereochemical outcome of the aziridination process. Rhodium acetate was initially used as a model catalyst, followed by computational studies conducted with Rh2[(S)‐nttl]...
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