{"id":"W2126736342","doi":"10.1021/jo202342q","title":"Analysis of the Palladium-Catalyzed (Aromatic)C–H Bond Metalation–Deprotonation Mechanism Spanning the Entire Spectrum of Arenes","year":2011,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":435,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Metalation; Chemistry; Deprotonation; Reactivity (psychology); Bond cleavage; Catalysis; Nucleophile; Palladium; Computational chemistry; Cleavage (geology); Stereochemistry; Photochemistry; Combinatorial chemistry; Organic chemistry","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":[0.001533129,0.000191179,0.000454465,0.000074727,0.0001508089,0.00001820037,0.000897133,0.0001140596,0.006271677],"category_scores_gemma":[0.0007418168,0.0001055862,0.000445961,0.001134668,0.0001880806,0.0001046906,0.0001620882,0.0003051651,0.000001883586],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001054055,"about_ca_system_score_gemma":0.0002112493,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002789438,"about_ca_topic_score_gemma":0.00001033845,"domain_scores_codex":[0.9978319,0.00007902923,0.001026565,0.0001410332,0.0007655261,0.000155967],"domain_scores_gemma":[0.9962419,0.0004207469,0.002182077,0.0008078826,0.000293892,0.00005348821],"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":[0.00006669501,0.00008605111,0.003928526,0.0001130122,0.00173916,9.432803e-7,0.001753601,0.0001539984,0.9918792,0.0001313917,0.00004408573,0.0001033686],"study_design_scores_gemma":[0.0003855116,0.00000680074,0.006452062,0.00007383681,0.003348905,0.00009481038,0.00134924,0.0006705158,0.9850795,0.002386315,0.00004709211,0.0001054461],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9893571,0.0002766307,0.007536851,0.0003343488,0.0001249733,0.0001134098,0.0000217568,0.00001345226,0.002221545],"genre_scores_gemma":[0.9985,0.00003637969,0.000611727,0.00001899281,0.0001265231,0.000003316297,0.00001700888,0.00002531169,0.000660705],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009143003,"threshold_uncertainty_score":0.9946367,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02489525776953086,"score_gpt":0.2484974298645405,"score_spread":0.2236021720950097,"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."}}