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Record W4282938263 · doi:10.1002/anie.202205963

The Synthetic Potential of Thiophenium Ylide Cycloadducts**

2022· article· en· W4282938263 on OpenAlexafffund
Alice Pommainville, Dominic Campeau, Fabien Gagosz

Bibliographic record

VenueAngewandte Chemie International Edition · 2022
Typearticle
Languageen
FieldChemistry
TopicClick Chemistry and Applications
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Ottawa
KeywordsCycloadditionYlideIntramolecular forceChemistryCombinatorial chemistrySulfideAtom (system on chip)Computational chemistryStereochemistryOrganic chemistryComputer scienceCatalysis

Abstract

fetched live from OpenAlex

(3+2) cycloaddition reactions are undeniably one of the most robust and versatile synthetic tools in heterocyclic chemistry. The classically required 1,3-dipoles are however limited to three-atom sequences bearing stabilized formal charges in their Lewis structure. The scope of three-atom groupings possible in (3+2) cycloadditions can be greatly expanded by taking of advantage neutral three-atom components (TACs). These groupings result in zwitterionic (3+2) cycloadducts adaptable to multiple outcomes depending on structure and conditions. Herein, the intramolecular (3+2) cycloaddition reaction between alkynyl sulfides (neutral TAC) and alkynes to provide key thiophenium ylide intermediates is first reported. These reactive species provide access to highly substituted fused thiophenes following predictable chemical sequences. Structural features on the obtained thiophenes were highly configurable by judicious choice of both alkynyl sulfide substitution and reaction conditions.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.232
Threshold uncertainty score0.996

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.000

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 head0.009
GPT teacher head0.237
Teacher spread0.229 · 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 teacher head, not a consensus.

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

Citations11
Published2022
Admission routes2
Has abstractyes

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