Substituent Effects on the Activation Parameter Changes for the Aminolysis in the Bimolecular Nucleophilic Reactions in Solution
Bibliographic record
Abstract
Variation of the activation parameters for the aminolysis in the SN2, acyl-transfer, SNAr and AdN reactions offers an additive mechanistic tool for the studies of these reactions in solution. This approach uses the substituent effects on the benzene and pyridine rings to the variation of the activation parameters, ΔX≠ (X = H, S, G), in the above reactions in the frameworks of the Hammett - like equations in order to evaluate the resultant δΔX≠ reaction constants. The single linear dependences of the internal enthalpy constants δΔH≠ int on the δΔG≠ and the Hammett Ï constants show that the substituent effects in the leaving and nonleaving groups and nucleophiles on the mechanistic features in aminolysis of bimolecular nucleophilic reactions are governed by the magnitude of δΔH≠ int when one of the steps of the process is the single rate-determining step.
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 imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".