{"id":"W1998097211","doi":"10.1021/jo000449a","title":"Mechanistic Evaluation of the Halocyclization of 4-Penten-1-ol by Some Bis(2-substituted pyridine) and Bis(2,6-disubstituted pyridine)bromonium Triflates","year":2000,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":84,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Pyridine; Trifluoromethanesulfonate; Steric effects; Medicinal chemistry; Kinetic isotope effect; Dissociation (chemistry); Reaction mechanism; Stereochemistry; Deuterium; Organic chemistry; Catalysis","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0009903959,0.00029844,0.0004837471,0.00002545323,0.0001307034,0.00002743664,0.000672843,0.000248519,0.005181175],"category_scores_gemma":[0.0009472778,0.0002014018,0.0001801579,0.0004205369,0.0002325456,0.0002085649,0.00008530588,0.0005190361,0.000003328529],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002435885,"about_ca_system_score_gemma":0.0003850754,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002146805,"about_ca_topic_score_gemma":0.000002159362,"domain_scores_codex":[0.9972239,0.00007387481,0.001053228,0.0002243837,0.001171249,0.0002533533],"domain_scores_gemma":[0.9971789,0.0002490172,0.001247173,0.0005655997,0.0006195443,0.0001397418],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002049648,0.0001768432,0.00004135555,0.0001831072,0.0001512604,0.000001564164,0.00009830354,0.0002305997,0.9978319,0.00002224958,0.0004270509,0.0006307578],"study_design_scores_gemma":[0.001983423,0.00002009193,0.00004464452,0.000266911,0.0008228692,0.0002794591,0.0002183463,0.002154412,0.9928551,0.0007968566,0.0003712013,0.0001866505],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971064,0.001275869,0.0001563156,0.0004309297,0.0001281174,0.000142948,0.00004660023,0.00002498277,0.0006877878],"genre_scores_gemma":[0.9985376,0.000765493,0.00004531361,0.00002850581,0.0001736175,0.000003360374,0.00003084033,0.00004343962,0.0003718138],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005177847,"threshold_uncertainty_score":0.9957282,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01135538393588705,"score_gpt":0.2269914592182607,"score_spread":0.2156360752823736,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}