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Beilstein J. Org. Chem. 2014, 10, 701–706, doi:10.3762/bjoc.10.63
Graphical Abstract
Scheme 1: Synthesis of formamide 4. Reagents and conditions: a) KHMDS, THF, −78 °C; then: NaBH4, MeOH, 63%. b...
Figure 1: Equilibration of the Z-rotamer of 4 at 293 K.
Figure 2: Equilibration of the E-rotamer of 4 at 293 K.
Figure 3: Elution profiles obtained by temperature-dependent DHPLC measurements of 4.
Figure 4: Eyring plot obtained by temperature dependent DHPLC measurements of 4.
Figure 5: Potential energy surface scan graph for the dihedral angle O–C–N–C1 () in 4 (BP-D3/def2-SVP).
Figure 6: Energy differences and geometries for E- and Z-4 and both transition states (TS1 and TS2) in hexane...