{"id":"W2027600077","doi":"10.1021/ja7107068","title":"C2, C5, and C4 Azole <i>N</i>-Oxide Direct Arylation Including Room-Temperature Reactions","year":2008,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":271,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Azole; Regioselectivity; Reactivity (psychology); Ring (chemistry); Oxide; Surface modification; Computational chemistry; Combinatorial chemistry; Stereochemistry; Organic chemistry; Antifungal; Catalysis; Physical chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001943506,0.0005980001,0.0002328539,0.0002284666,0.0002676047,0.0001554231,0.0004247963,0.0002082984,0.002496127],"category_scores_gemma":[0.0001543445,0.0001488278,0.0001747373,0.000230425,0.0002018246,0.0002121846,0.0003368952,0.0003305376,0.0005538215],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003615866,"about_ca_system_score_gemma":0.0003113404,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001773737,"about_ca_topic_score_gemma":0.004074456,"domain_scores_codex":[0.9998395,0.00001524286,0.00001005232,0.00003897983,0.0000391994,0.0000570336],"domain_scores_gemma":[0.9999546,0.000007071785,0.00001202216,0.000009855275,0.000007552901,0.000008956777],"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":[0.0001899073,0.0000377723,0.0002426876,0.0001515691,0.00001506316,0.0001392173,0.00004817551,0.0004184466,0.9891605,0.0008571726,0.0004428512,0.008296569],"study_design_scores_gemma":[0.00001541719,0.0002289133,0.000941979,0.00000449046,0.000009369702,0.000149217,0.000008904179,0.0007775968,0.9934834,0.00005745241,0.004312053,0.0000112454],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9572459,0.001772906,0.01603243,0.0000938414,0.00006661025,0.000128608,0.0005341729,0.0003351916,0.02379031],"genre_scores_gemma":[0.9893258,0.0008011031,0.005204059,0.00003483181,0.00001722538,0.00006418439,0.0003617486,0.00003626055,0.004154854],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002496127,"threshold_uncertainty_score":0.008350372,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02127550851126948,"score_gpt":0.2827043933458124,"score_spread":0.2614288848345429,"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."}}