@article{7a59266eef9f408eb248258d8a229577,
title = "Rationalising diastereoselection in the dynamic kinetic resolution of α-haloacyl imidazolidinones: A theoretical approach",
abstract = "A new model for the rationalisation of previously reported DKR results is presented. The proposed model is based both on experimental and molecular modelling results which indicate that selectivity arises from the interaction between the leaving group and the stereodifferentiating substituent of the chiral auxiliary.",
keywords = "Ab initio, Dynamic kinetic resolutions (DKR), Molecular modelling, Transition states",
author = "{Gil Santos}, A. and Candeias, {Sara X.} and Afonso, {Carlos A. M.} and Kerry Jenkins and Stephen Caddick and Treweeke, {N. R.} and D. Pardoe",
note = "We gratefully acknowledge the Calouste Gulbenkian Foundation for support. We gratefully acknowledge the Funda{\c c}{\~a}o para a Ci{\^e}ncia e Tecnologia (FCT, project PRAXIS XXI PCEX/C/QUI/53/96, a PhD grant for S. X. C., Ref. PRAXIS XXI/BD/4024/94 and a grant to A. G. S., Ref. BSAB/159/00). We gratefully acknowledge EPSRC, BBSRC, SmithKline Beecham Pharmaceuticals, Novartis, AstraZeneca and the Association for International Cancer Research (St Andrews, UK) for support.",
year = "2001",
month = jul,
day = "23",
doi = "10.1016/S0040-4020(01)00551-8",
language = "English",
volume = "57",
pages = "6607--6614",
journal = "Tetrahedron",
issn = "0040-4020",
publisher = "Elsevier",
number = "30",
}