{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Kostal J"],"funding":["NIGMS NIH HHS"],"pagination":["260-3"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3258499"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["14(1)"],"pubmed_abstract":["A combined computational and experimental kinetic study on the Henry reaction is reported. The effects of solvation on the transition structures and the rates of reaction between nitromethane and formaldehyde, and between nitropropane and benzaldehyde are elucidated with QM/MM calculations."],"journal":["Organic letters"],"pubmed_title":["Investigation of solvent effects on the rate and stereoselectivity of the Henry reaction."],"pmcid":["PMC3258499"],"funding_grant_id":["GM32136","R01 GM032136-30","R01 GM032136"],"pubmed_authors":["Kostal J","Voutchkova AM","Jorgensen WL"],"additional_accession":[]},"is_claimable":false,"name":"Investigation of solvent effects on the rate and stereoselectivity of the Henry reaction.","description":"A combined computational and experimental kinetic study on the Henry reaction is reported. The effects of solvation on the transition structures and the rates of reaction between nitromethane and formaldehyde, and between nitropropane and benzaldehyde are elucidated with QM/MM calculations.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jan","modification":"2025-04-05T13:11:55.838Z","creation":"2019-03-27T00:47:59Z"},"accession":"S-EPMC3258499","cross_references":{"pubmed":["22168236"],"doi":["10.1021/ol2030394"]}}