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Record W3214748838 · doi:10.1139/cjc-2021-0234

Betaine formation from the reactions of <i>N</i>-heterocyclic carbenes with polarized alkenes

2021· article· en· W3214748838 on OpenAlexaffvenue
Hamed Ghanbari, Katherine N. Robertson, Jason A. C. Clyburne, Ebrahim Soleimani

Bibliographic record

VenueCanadian Journal of Chemistry · 2021
Typearticle
Languageen
FieldChemistry
TopicN-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Canadian institutionsDalhousie UniversitySaint Mary's University
Fundersnot available
KeywordsChemistryCarbeneBetaineIMesMalononitrileAldehydeSalt (chemistry)Medicinal chemistryCrystal structureDouble bondStereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

N-Heterocyclic carbenes [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene 1a (IMes) or 1,3-bis(2,6-di-iso-propylphenyl)imidazolidene 1b (SIPr)] react with the polarized alkenes 2 and 4 to form the crystalline betaines 3a, 3b, and 5a. Furthermore, a one-pot reaction between an aldehyde, malononitrile, and an imidazolium salt of an N-heterocyclic carbene has been developed for the efficient preparation of betaine 5a without isolation of the free carbene. Full characterization data, including X-ray crystal structures, is reported for the three synthesized betaines. The structures of the betaines 3a, 3b, and 5a shed new light on the initial products formed in the reactions between N-heterocyclic carbenes and compounds containing polarized double bonds.

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 score0.001
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.008
GPT teacher head0.190
Teacher spread0.182 · 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

Citations0
Published2021
Admission routes2
Has abstractyes

Explore more

Same venueCanadian Journal of ChemistrySame topicN-Heterocyclic Carbenes in Organic and Inorganic ChemistryFrench-language works237,207