{"id":"W1964581381","doi":"10.1139/v01-093","title":"Kinetic study of the proton transfer reaction between 1-nitro-1-(4-nitrophenyl)alkanes and TBD and MTBD bases in acetonitrile solvent","year":2001,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Kinetic isotope effect; Acetonitrile; Reaction rate constant; Proton; Substituent; Steric effects; Medicinal chemistry; Solvent; Deuterium; Kinetics; Stereochemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003222862,0.0003886725,0.0004382156,0.0001450096,0.000177655,0.0003208753,0.0003507026,0.00027014,0.0007841943],"category_scores_gemma":[0.000594387,0.0001994152,0.0002440973,0.0002050702,0.0002372077,0.0003537263,0.000162169,0.0003785668,0.0003516915],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005620201,"about_ca_system_score_gemma":0.0003855816,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003308417,"about_ca_topic_score_gemma":0.002453791,"domain_scores_codex":[0.9997733,0.00004064908,0.00001014755,0.00005288005,0.00006876328,0.00005421311],"domain_scores_gemma":[0.9997303,0.0001212704,0.00004008686,0.000009965977,0.00005910491,0.00003930899],"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":[0.0009359206,0.00005829839,0.001317802,0.000252492,0.00003625451,0.00008463288,0.0001535483,0.001420629,0.989289,0.0004051219,0.00009511158,0.00595121],"study_design_scores_gemma":[0.00002545885,0.0003675807,0.002729728,0.00001143645,0.00002395818,0.00009542641,0.00008029903,0.008750935,0.9865523,0.00005534937,0.001287911,0.00001956003],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9898188,0.001993011,0.005372884,0.00009266262,0.00002771908,0.00004725798,0.0003795949,0.00009931374,0.002168739],"genre_scores_gemma":[0.9934495,0.001028448,0.003308819,0.00001868699,0.000006880303,0.00003895011,0.0002780899,0.00001484676,0.001855731],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003308417,"threshold_uncertainty_score":0.006578326,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01469826504633404,"score_gpt":0.2198988971691332,"score_spread":0.2052006321227992,"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."}}