Table 2. Comparison of the Calculated Rate-Determining Barriers for the Deacetylation of GlcNAc with Different DESs, and OH– and H3O+ for Reference.
DES formulation | rate-determining barrier (kcal·mol–1) |
---|---|
K2CO3:G | 26 |
[Ch]Cl:G | 31 |
[Ch]Cl:AA | 23 |
[Ch]Cl:OA | 25 |
[Ch]Cl:MA | 19 |
OH– | 22 |
H3O+ | 27 |