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Record W2066099024 · doi:10.1021/jo060598e

Rearrangements of the Diels−Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran

2006· article· en· W2066099024 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Organic Chemistry · 2006
Typearticle
Languageen
FieldChemistry
TopicOrganic Chemistry Cycloaddition Reactions
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsChemistryKetonePericyclic reactionCycloadditionSigmatropic reactionCyclopentadieneIntramolecular forceAcid catalysisDiels–Alder reactionMedicinal chemistryEpoxidePhotochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

1,3-Diphenylisobenzofuran afforded Diels-Alder cycloadducts 4a,b with n-butyl- and phenyl-substituted acetylenic sulfones 3a,b, respectively. The products underwent various types of rearrangements under pyrolytic, acid-catalyzed, and photochemical conditions. In the presence of acid, or upon heating in xylenes, they afforded the ketones 5a,b. In addition, the dehydration product 7a was produced from the pyrolysis of 4a, and the unexpected transposed ketone 6b was generated under acid-catalyzed or pyrolytic conditions from 4b via a postulated epoxide intermediate. The photolysis of 4a afforded ketone 5a as the sole isolated product, whereas 5b afforded oxepin 8b and indenyl phenyl ketone 9b. The formation of the latter two products can be rationalized by a series of pericyclic reactions. These include an intramolecular [2+2] cycloaddition, followed by a 1,3-dipolar cycloreversion, for the transformation of 4b to 8b and a series of electrocyclic and [1,3]sigmatropic reactions to convert 8b into 9b.

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.

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 score0.009
Threshold uncertainty score0.992

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 science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0090.000

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 head0.004
GPT teacher head0.183
Teacher spread0.179 · 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