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A challenging case is the conversion of glucose and fructose to 5\u2010hydroxymethylfurfural (HMF). Ionic liquids (ILs) are often employed to boost the activity and selectivity of this process, although the isolation of HMF from the medium remains a major drawback. To investigate such solvent effects in a realistic (dynamic) environment, classical molecular dynamics (MD) simulations of HMF are performed in imidazolium\u2010based ILs with different anions. Several parameters are identified that directly control HMF\u2013anion interactions, which may hamper product separation, as well as HMF\u2013HMF contacts, which can promote undesired side\u2010reactions. 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