In-Silico-Assisted Derivatization of Triarylboranes for the Catalytic Reductive Functionalization of Amino Acids with H2
Yusei Hisata,
Takashi Washio,
Shinobu Takizawa
et al.
Abstract:Cheminformatics-based machine learning (ML) has assisted in determining optimal reaction conditions, including catalyst struc-tures, in the field of synthetic chemistry. However, such ML-focused strategies have remained largely unexplored in the context of catalytic molecular transformations using Lewis-acidic main-group elements, probably due to the absence of a candidate library and effective guidelines (parameters) for the prediction of the activity of main-group elements. Here, the construction of a triary… Show more
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