α,β‐Dehydrogenation Adjacent to Sulfur‐ and Phosphorus‐ Containing Compounds
Sun Y, Newhouse T. α,β‐Dehydrogenation Adjacent to Sulfur‐ and Phosphorus‐ Containing Compounds. Angewandte Chemie 2024, 136 DOI: 10.1002/ange.202411859.Peer-Reviewed Original ResearchAllyl methyl carbonateDeuterium incorporation studiesOrganozinc intermediatesMethyl carbonateReaction sequencePhosphorus-containing compoundsSide productsPhosphorus groupsReaction optimizationReactionSulfurDiverse array of substratesArray of substratesDiastereoselectivitiesSubstrateDeuteriumFormationIntermediateCompoundsα,β‐Dehydrogenation Adjacent to Sulfur‐ and Phosphorus‐ Containing Compounds
Sun Y, Newhouse T. α,β‐Dehydrogenation Adjacent to Sulfur‐ and Phosphorus‐ Containing Compounds. Angewandte Chemie International Edition 2024, 63: e202411859. PMID: 39264684, DOI: 10.1002/anie.202411859.Peer-Reviewed Original ResearchAllyl methyl carbonateDeuterium incorporation studiesOrganozinc intermediatesMethyl carbonateReaction sequencePhosphorus-containing compoundsSide productsPhosphorus groupsReaction optimizationReactionSulfurDiverse array of substratesArray of substratesDiastereoselectivitiesSubstrateDeuteriumFormationIntermediateCompoundsSite-specific template generative approach for retrosynthetic planning
Shee Y, Li H, Zhang P, Nikolic A, Lu W, Kelly H, Manee V, Sreekumar S, Buono F, Song J, Newhouse T, Batista V. Site-specific template generative approach for retrosynthetic planning. Nature Communications 2024, 15: 7818. PMID: 39251606, PMCID: PMC11385523, DOI: 10.1038/s41467-024-52048-4.Peer-Reviewed Original ResearchComplexity of chemical spaceRetrosynthetic planningGenerative machine learning methodsChemical spaceTarget compoundsChemical transformationsChemical synthesisReaction templatesSynthetic pathwaySmall moleculesGenerative machine learningMoleculesReactionMachine learning methodsSynthesisUser selectionSynthonsLearning methodsMachine learningGeneration approachReactantsRetrosynthesisInterconversionCompounds