Table 1.
Relative calculated energy levels for radical and carbocation formation from different ethylbenzene analogues.
Compound[a] | ΔΔG radical [kJ mol−1] | ΔΔG carbocation [kJ mol−1] |
---|---|---|
N-ethyl-1,2-azaborine | 23.69 | 12.28 |
B-ethyl-1,2-azaborine | 15.41 | 24.43 |
N-ethylimidazole | 23.0 | 37.9 |
ethylbenzene | 0 | 0 |
N-ethylpyrrole | 18.56 | −14.46 |
Compounds in bold are substrates, the other compounds are inhibitors of EbDH.