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Record W3195457017 · doi:10.1002/adsc.202100657

Optimizing the Iodide/Iodonium/O<sub>2</sub> Oxidation Cycle Enhances the Scope, Selectivity, and Yields of Hydroiodic Acid‐Catalyzed Multicomponent Cyclocondensation Reactions

2021· article· en· W3195457017 on OpenAlexafffund
David E. Scott, Mark D. Aloisio, José F. Rodríguez, Masato Morimoto, Robin J. Hamilton, Orain Brown, Rik R. Tykwinski, Jeffrey M. Stryker

Bibliographic record

VenueAdvanced Synthesis & Catalysis · 2021
Typearticle
Languageen
FieldChemistry
TopicOxidative Organic Chemistry Reactions
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Alberta
KeywordsChemistryCatalysisIminiumHydrogen peroxideCatalytic cycleSelectivityAldehydeIodineAmine gas treatingIodideAromatizationOrganic chemistryCombinatorial chemistry

Abstract

fetched live from OpenAlex

Abstract Catalytic iodine in the presence of water acts indirectly as a source of Brønsted acid and, concurrently, generates iodonium ion and hydrogen peroxide, which mediate the final oxidative aromatization step in the multicomponent cyclocondensation of an aromatic amine and two aliphatic aldehyde compounds. The oxidative cycle in this and related iodine‐catalyzed reactions is seldom discussed, generally unoptimized, and rarely investigated in detail. This work establishes that two independent catalytic cycles (H + and I − /I + ) drive such multicomponent cyclocondensation/ oxidation reactions, provided that the oxidant is generated in sufficient concentration to inhibit oxidation of the dihydroquinoline by the intermediate iminium cation. The complementary dual catalytic cycles, when optimized, act in concert to suppress side product formation, which simplifies isolation and purification of the self‐aggregating products, and increases the efficiency and scope of the Wang‐Kozlov multicomponent reaction. magnified image

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 score0.003
Threshold uncertainty score0.009

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 communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0030.001

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 head0.228
Teacher spread0.219 · 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

Citations2
Published2021
Admission routes2
Has abstractyes

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