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Record W2119463483 · doi:10.1139/v08-015

Benzamide hydrolysis in strong acids — The last word

2008· article· en· W2119463483 on OpenAlexvenueno aff
Robin A. Cox

Bibliographic record

VenueCanadian Journal of Chemistry · 2008
Typearticle
Languageen
FieldChemistry
TopicChemical Reaction Mechanisms
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryProtonationHydrolysisAmideBenzamideReaction rate constantAqueous solutionReaction mechanismHydrolysis constantMoleculeMedicinal chemistryComputational chemistryOrganic chemistryIonKineticsCatalysis

Abstract

fetched live from OpenAlex

Recently it has become apparent that the mechanism of amide hydrolysis in relatively dilute strong acid media is the same as the one observed for ester and benzimidate hydrolysis, two water molecules reacting with the O-protonated amide in the rate-determining step. This is not the whole story, however, at least for benzamide, N-methylbenzamide, and N,N-dimethylbenzamide, since the observed rate constants for these substrates deviate upwards from the observed excess acidity correlation lines at acidities higher than about 60% H2SO4, meaning that another, faster, reaction with a different mechanism is taking over at higher acidities. It has never been clear what this latter mechanism was until the work reported in this paper. An exhaustive excess acidity analysis of all the available measured reaction rate constants for the three substrates in three different acidic media, aqueous H2SO4, aqueous HClO4, and aqueous HCl, shows that this second mechanism involves a second rate-determining proton transfer to the O-protonated benzamide, followed by (or possibly concerted with) irreversible loss of +NH4 to give an acylium ion. Subsequent reaction of this with water (or bisulfate, etc.) eventually gives the observed carboxylic acid product. This latter reaction mechanism has never been previously considered for amide hydrolysis, but it may not be uncommon; at least one other reaction with a similar mechanism is known, and another possible case is suggested.Key words: amides, benzamides, hydrolysis, excess acidity, mechanism, acid media.

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)0.001
metaresearch head score (Gemma)0.001
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: none
Teacher disagreement score0.006
Threshold uncertainty score0.021

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0020.003
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0060.003

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 head0.013
GPT teacher head0.206
Teacher spread0.194 · 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

Citations17
Published2008
Admission routes1
Has abstractyes

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