{"id":"W2063648253","doi":"10.1039/b201731h","title":"Water and hydroxide ion pathways in the σ-complexation of superelectrophilic 2-aryl-4,6-dinitrobenzotriazole 1-oxides in aqueous solution. A kinetic and thermodynamic study","year":2002,"lang":"en","type":"article","venue":"Journal of the Chemical Society Perkin Transactions 2","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University; Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Kinetic isotope effect; Electrophile; Aryl; Aqueous solution; Moiety; Adduct; Nucleophile; Hydroxide; Catalysis; Benzotriazole; Base (topology); Medicinal chemistry; Reactivity (psychology); Inorganic chemistry; Organic chemistry; Deuterium; Alkyl","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":[],"consensus_categories":[],"category_scores_codex":[0.0003872752,0.0001721203,0.000290869,0.00004827112,0.00009820279,0.00002853893,0.0002704579,0.0001549118,0.0001705236],"category_scores_gemma":[0.00005391093,0.0001008827,0.0002337158,0.0002273374,0.0001355678,0.0001216452,0.00002016468,0.0008083755,5.473604e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002384819,"about_ca_system_score_gemma":0.00001713366,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008261427,"about_ca_topic_score_gemma":0.00002616286,"domain_scores_codex":[0.998543,0.00006242884,0.0005986652,0.0001872549,0.000367768,0.0002408335],"domain_scores_gemma":[0.9992754,0.000238076,0.0001719437,0.0002019464,0.00005032977,0.0000623462],"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":[0.00004500885,0.0005588998,0.000250842,0.00004414299,0.00004174882,0.000002788265,0.004652578,0.00009104262,0.9933122,0.000009028329,0.00001235851,0.0009793621],"study_design_scores_gemma":[0.002495097,0.00009492182,0.001024517,0.00009553837,0.0001415863,0.0003972761,0.003455608,0.01811729,0.9713494,0.002573727,0.00006385733,0.0001911815],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978241,0.0003622666,0.0003173455,0.001240684,0.00003302924,0.0001544054,0.00000491837,0.0000095363,0.00005368984],"genre_scores_gemma":[0.9993629,0.0003219118,0.0001498542,0.00006486064,0.00005220812,0.00001403636,0.00000161901,0.00001668497,0.00001590414],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0219628,"threshold_uncertainty_score":0.4113877,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01752041255715863,"score_gpt":0.2099602487520822,"score_spread":0.1924398361949235,"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."}}