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Beilstein J. Org. Chem. 2023, 19, 1525–1536, doi:10.3762/bjoc.19.109
Graphical Abstract
Scheme 1: Scheme of the formation of R[4]A complexes with sec-amines in ethanol depending on the amine used.
Figure 1: 1H NMR spectra of the 1:1 complex of R[4]A with pyrrolidine in DMSO-d6 and CDCl3 solution. The inte...
Scheme 2: The procedure for finding the most energetically stable complex R[4]A with a sec-amine and calculat...
Figure 2: Theoretically calculated (PBE0-D4/def2-mTZVPP/CPCM) structures of the R[4]A:pyrrolidine complex in ...
Figure 3: Structures of complexes with 1:1 stoichiometry between R[4]A and sec-amines in CHCl3 and DMSO, calc...
Figure 4: Geometrically optimized (PBE0-D4/def2-mTZVPP/CPCM(DMSO) structures of complexes with 1:2 stoichiome...
Figure 5: pKa values of protons of hydroxy groups not involved in the formation of hydrogen bonds in the R[4]...