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Record W4247419846 · doi:10.32920/ryerson.14665677

Development of enantioselective intramolecular N-arylation reactions for the desymmetrization of achiral dinitrogen malonamide derivatives

2021· preprint· en· W4247419846 on OpenAlexaff
Lukasz Porosa

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldChemistry
TopicAsymmetric Synthesis and Catalysis
Canadian institutionsToronto Metropolitan University
Fundersnot available
KeywordsDesymmetrizationChemistryEnantioselective synthesisIntramolecular forceEnantiopure drugNucleophileYield (engineering)SubstituentDerivative (finance)Medicinal chemistryEnantiomerStereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

An effective methodology for the enantioselective intramolecular (Buchwald-Hartwig) amidation of prochiral dinitrogen malonamide derivatives has been developed in quantitative yield and good enantioselectivities. The best result was obtained based on an enantiopure (R)-MOP/Pd(OAc)₂ catalytst system with either Cs₂CO₃ or K₃PO₄ in refluxing THF affording the 4-methoxybenzyl substituted diamide derivative, 3-methyl-N, 1-bis(4-methoxbenzyl)-2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxamide, in 99% yield and 75% enantiomeric excess. This example serves as a preliminary example of a desymmetrization of prochiral dinitrogen nucleophiles by preferential N-arylation. The intermolecular version of this reaction proved to be more challenging than its intramolecular counterpart and no coupling products were obtained. Other malonamide derivatives were prepared with a pendant bromovinyl substituent at the αposition and cyclized intramoleculary employing a mild Goldberg reaction to form 5-membered rings in good yield and unknown enantioselectivity.

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)0.000
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: none
Teacher disagreement score0.630
Threshold uncertainty score0.710

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.025
GPT teacher head0.263
Teacher spread0.237 · 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

Citations0
Published2021
Admission routes1
Has abstractyes

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