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Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24700
Abstract: DFT calculations were conducted to pursue deeper understandings on the mechanism and the explicit role of trace water in the DBU‐catalyzed β‐amination of NBS to chalcone. Being different from previously proposed by Liang et al.,…
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Keywords:
nbs chalcone;
water;
dbu catalyzed;
amination nbs ... See more keywords