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Record W2120430191 · doi:10.1139/v03-015

Variation of the ease of α-sulfonyl carbanion formation with the orientation of different β-substituents: Experimental evidence for the generality of negative hyperconjugation as an important substituent effect

2003· article· en· W2120430191 on OpenAlexfundvenueno aff
James King, Manqing Li, Allan Zijun Cheng, Vinod Dave, Nicholas C. Payne

Bibliographic record

VenueCanadian Journal of Chemistry · 2003
Typearticle
Languageen
FieldChemistry
TopicAsymmetric Synthesis and Catalysis
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistrySubstituentCarbanionHyperconjugationSulfonylAlkoxy groupAnomeric effectStereochemistryComputational chemistryMedicinal chemistryOrganic chemistryAnomerMoleculeAlkyl

Abstract

fetched live from OpenAlex

Following up on our previous observation that the rate of formation of a β-alkoxy-substituted α-sulfonyl carbanion depends on the stereochemistry of the alkoxy group, we have found similar behaviour when the β-substituent is R 2 N, RS, or R 3 N + . With each substituent, the variation of k N (defined by k N = (k exch ) X /(k exch ) model ) is consistent with an equation of the form log k N = a + b cos 2 θ, where θ is the H-C-C-X torsion angle. We propose that the a term describes the polar (field plus inductive) effect and the b term the negative hyperconjugative effect of the substituent; we show how the variations in a and b may be readily accommodated within this framework. Some features of the trialkylammonio group previously postulated in the literature are discussed in the light of our results.Key words: negative hyperconjugation, substituent effects, stereoelectronic factors, sulfonyl carbanions, anomeric effect.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation 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 score0.006
Threshold uncertainty score0.279

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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)0.0000.000

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 head0.017
GPT teacher head0.247
Teacher spread0.230 · 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.

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
Published2003
Admission routes2
Has abstractyes

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