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Beilstein J. Org. Chem. 2022, 18, 972–978, doi:10.3762/bjoc.18.97
Graphical Abstract
Figure 1: Summary of yields of HP and IE products in hydropyrene synthase.
Scheme 1: Proposed mechanism for HP and IE routes.
Figure 2: Free energy profile of hydropyrene cation (a), and IE cation (b) formation in the gas phase. The fr...
Figure 3: Structures of intermediates C‘ and C. The distance between the double bond and the cation in interm...
Beilstein J. Org. Chem. 2020, 16, 50–59, doi:10.3762/bjoc.16.7
Scheme 1: Mechanism for formation of cyclooctat-9-en-7-ol, published similarly in [42].
Figure 1: Computed electronic energy profiles (kcal/mol) for the CotB2 cyclase mechanism. The calculations us...
Figure 2: Intermediates A–I in the active site model. Interactions are marked by dashed orange lines, the int...
Figure 3: TS structures TS_A_B–TS_G/H_I in the active site model. Interactions are marked by dashed orange li...
Figure 4: Comparison between gas phase and active site model conformations. A) Intermediate D. B) Intermediat...