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Record W4367623873 · doi:10.1038/s41557-023-01165-6

Catalytic enantioselective nucleophilic desymmetrization of phosphonate esters

2023· article· en· W4367623873 on OpenAlexfundno aff
Michele Formica, Tatiana Rogova, Heyao Shi, Naoto Sahara, Branislav Ferko, Alistair J. M. Farley, Kirsten E. Christensen, Fernanda Duarte, Ken Yamazaki, Darren J. Dixon

Bibliographic record

VenueNature Chemistry · 2023
Typearticle
Languageen
FieldChemistry
TopicOrganophosphorus compounds synthesis
Canadian institutionsnot available
FundersDefence Science and Technology GroupAstraZenecaEngineering and Physical Sciences Research CouncilDefence Science and Technology LaboratoryJapan Society for the Promotion of ScienceCanadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of CanadaResearch Councils UKDiamond Light SourceGlaxoSmithKlineNatural Sciences and Engineering Research Council of CanadaEuropean CommissionPfizer
KeywordsEnantioselective synthesisChemistryDesymmetrizationNucleophileStereocenterBifunctionalPhosphonateCatalysisCombinatorial chemistrySubstituentOrganic chemistry

Abstract

fetched live from OpenAlex

Molecules that contain a stereogenic phosphorus atom are crucial to medicine, agrochemistry and catalysis. While methods are available for the selective construction of various chiral organophosphorus compounds, catalytic enantioselective approaches for their synthesis are far less common. Given the vastness of possible substituent combinations around a phosphorus atom, protocols for their preparation should also be divergent, providing facile access not only to one but to many classes of phosphorus compounds. Here we introduce a catalytic and enantioselective strategy for the preparation of an enantioenriched phosphorus(V) centre that can be diversified enantiospecifically to a wide range of biologically relevant phosphorus(V) compounds. The process, which involves an enantioselective nucleophilic substitution catalysed by a superbasic bifunctional iminophosphorane catalyst, can accommodate a wide range of carbon substituents at phosphorus. The resulting stable, yet versatile, synthetic intermediates can be combined with a multitude of medicinally relevant O-, N- and S-based nucleophiles.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.005
GPT teacher head0.217
Teacher spread0.212 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations99
Published2023
Admission routes1
Has abstractyes

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Same venueNature ChemistrySame topicOrganophosphorus compounds synthesisFrench-language works237,207