Abstract
The words “density functional theory” and the robot model in the figure indicate that our paper is mainly studied through computational chemistry. The 2-methyl-N-methoxy-aniline molecule in the magnifying glass was the reactant, which underwent rearrangement catalyzed by different NHC−Ag(I)/metal (Cu, Ag, Au) systems in the hope to produce two different products as our calculations show. Specifically, NHC−Cu catalysts produced 3-methyl-2-methoxy-aniline, while NHC−Ag(I)/Ag/Au produced 2-methyl-6-methoxy-aniline from the same reactant. Both products are multi-substituted aniline derivatives. More information can be found in the Full Paper by Li Dang et al.
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