{"id":"W1981246223","doi":"10.1021/ja0107529","title":"Keto−Enol/Enolate Equilibria in the <i>N</i>-Acetylamino-<i>p</i>-methylacetophenone System. Effect of a β-Nitrogen Substituent","year":2001,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; National Institutes of Health","keywords":"Chemistry; Keto–enol tautomerism; Enol; Substituent; Methylene; Medicinal chemistry; Equilibrium constant; Ketone; Reaction rate constant; Photochemistry; Catalysis; Inorganic chemistry; Tautomer; Organic chemistry; Kinetics","routes":{"ca_aff":true,"ca_fund":true,"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":[],"consensus_categories":[],"category_scores_codex":[0.001167221,0.0003327109,0.0009086182,0.00002726318,0.00007217946,0.00003775708,0.001380952,0.0001510361,0.00007162008],"category_scores_gemma":[0.0004093758,0.000186937,0.001200536,0.0008146054,0.0004540045,0.0001081961,0.0002309553,0.001157528,0.000006071567],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005722619,"about_ca_system_score_gemma":0.00009913785,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009128338,"about_ca_topic_score_gemma":0.000001043184,"domain_scores_codex":[0.9970817,0.00018429,0.0009767907,0.0002665168,0.001001712,0.000488978],"domain_scores_gemma":[0.9964827,0.0009788057,0.001595117,0.0006623461,0.0001323452,0.0001486576],"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":[0.0004251993,0.0001429454,0.002216804,0.0001628332,0.0001694827,0.00001729048,0.0003676729,0.00001747809,0.9947775,0.00002430174,0.0007662139,0.0009122909],"study_design_scores_gemma":[0.001348441,0.0001083136,0.00008301328,0.0002254458,0.0001991455,0.0005537945,0.001143036,0.00024113,0.9941321,0.0001682672,0.001599054,0.0001982804],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973795,0.0003459616,0.00007591522,0.0006853722,0.0001318603,0.0001394155,0.000009827957,0.00002702937,0.001205061],"genre_scores_gemma":[0.9985007,0.0001437677,0.0005900501,0.0002816999,0.0003790651,0.0000130487,0.000002203853,0.00003874299,0.000050714],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002133791,"threshold_uncertainty_score":0.762307,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008006175803373988,"score_gpt":0.2432135058363983,"score_spread":0.2352073300330244,"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."}}