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Record W4415449096 · doi:10.1021/jacsau.5c00849

A General Approach for Strained Ring Functionalization via Nucleophilic Catalysis

2025· article· en· W4415449096 on OpenAlexaff
Ping Wang, Cheng Deng, Zihao Luo, Ding Chen, A. Li, Yuanqiang Li, Lin Huang, Peng Yu

Bibliographic record

VenueJACS Au · 2025
Typearticle
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicFluorine in Organic Chemistry
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsNucleophileCatalysisRing (chemistry)Lone pairCovalent bondNucleophilic additionPhosphine

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Nucleophilic addition to strained rings offers an efficient route to small aliphatic rings, which serve as valuable bioisosteres in drug development. However, these reactions often require external stoichiometric bases, additives, or strong nucleophiles, limiting their practicality, compatibility, and scope. Moreover, achieving diastereocontrol in these reactions remains challenging, and direct addition of sp 3 C–H bonds continues to be difficult owing to their lack of electron lone pairs and weak acidity. Here, we present, for the first time, a nucleophilic catalysis strategy that addresses these challenges, enabling not only the direct and diastereoselective addition of a wide range of sp 3 C–H bonds, but also diverse heteroatom-based nucleophiles, including carboxylic acids, amides, phosphine oxides, and thiols, to strained rings without the need for external bases or additives. Mechanistic studies suggest the involvement of a covalent intermediate, generated through the nucleophilic addition of the catalyst to the strained ring substrate.

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: none
Teacher disagreement score0.003
Threshold uncertainty score0.010

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 integrity0.0010.002
Insufficient payload (model declined to judge)0.0030.002

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 head0.066
GPT teacher head0.396
Teacher spread0.330 · 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

Citations3
Published2025
Admission routes1
Has abstractyes

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Same venueJACS AuSame topicFluorine in Organic ChemistryFrench-language works237,207