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Record W2750756823 · doi:10.1021/acs.organomet.7b00490

A General Protocol for the Broad-Spectrum Cross-Coupling of Nonactivated Sterically Hindered 1° and 2° Amines

2017· article· en· W2750756823 on OpenAlexafffund
Abir Khadra, Stanislas Mayer, David Mitchell, Michael J. Rodriguez, Michael G. Organ

Bibliographic record

VenueOrganometallics · 2017
Typearticle
Languageen
FieldChemistry
TopicCatalytic Cross-Coupling Reactions
Canadian institutionsUniversity of OttawaYork University
FundersNatural Sciences and Engineering Research Council of CanadaEli Lilly and Company
KeywordsChemistrySteric effectsAlkoxideButylated hydroxytoluenePrimary (astronomy)Broad spectrumCombinatorial chemistryBase (topology)CatalysisOrganic chemistryMedicinal chemistryAntioxidant

Abstract

fetched live from OpenAlex

While notable advances have been reported for the metal-catalyzed cross-coupling of bulky amines, to date no set of reported conditions has proven general for both hindered and unactivated primary and secondary amines. Examples that are reported with Pd catalysts invariably involve aggressive alkoxide bases in order to provide the necessary “push” required to couple these challenging substrates. Consequently, few, if any, base-sensitive functional groups (e.g., esters, ketones, cyano groups) are included in published reports involving such substrates. Herein we disclose the use of Pd-PEPPSI-IPent Cl 3-chloropyridine precatalyst with the mild, yet soluble base sodium butylated hydroxytoluene (NaBHT) in one single protocol that can couple a broad scope of hindered and unactivated primary and secondary amines to produce functionalized products in high yields.

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: Protocol · Consensus signal: none
Teacher disagreement score0.008
Threshold uncertainty score0.025

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.000
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0080.006

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 head0.041
GPT teacher head0.354
Teacher spread0.313 · 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
GenreProtocol

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

Citations39
Published2017
Admission routes2
Has abstractyes

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