{"id":"W2790345103","doi":"10.1002/anie.201801280","title":"Benzylic Fluorination of Aza‐Heterocycles Induced by Single‐Electron Transfer to Selectfluor","year":2018,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":86,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"National Science Foundation","keywords":"Selectfluor; Intermolecular force; Chemistry; Electrophile; Selectivity; Electrophilic fluorination; Dissociation (chemistry); Electron transfer; Halogenation; Bond-dissociation energy; Reagent; Computational chemistry; Combinatorial chemistry; Organic chemistry; Photochemistry; Molecule; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001942822,0.0003474355,0.0002409916,0.000170975,0.0001904907,0.0001302205,0.00030386,0.0003173541,0.001425904],"category_scores_gemma":[0.0001309135,0.0001354428,0.0001602853,0.000112639,0.0001993859,0.0002631134,0.0002561563,0.0006107792,0.0003195876],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002208692,"about_ca_system_score_gemma":0.0002130132,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003096333,"about_ca_topic_score_gemma":0.0009526069,"domain_scores_codex":[0.999885,0.00001403668,0.000006434102,0.00002537801,0.00002930349,0.00003980667],"domain_scores_gemma":[0.9999129,0.00002220639,0.00002841474,0.00001266636,0.000009732734,0.00001410379],"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":[0.00006923766,0.00002983765,0.0001166645,0.0001131107,0.00001016153,0.0001733159,0.00005050129,0.0001589652,0.9919599,0.0006129103,0.0001686454,0.006536625],"study_design_scores_gemma":[0.00001108979,0.0001812207,0.0004791905,0.000004888855,0.00000621568,0.0002572837,0.000006689253,0.0002802458,0.9963382,0.00006247436,0.002366515,0.000005938066],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9307147,0.005250064,0.05262378,0.0002468295,0.0001079401,0.0001160541,0.0003966005,0.0003211995,0.01022284],"genre_scores_gemma":[0.9893027,0.001794876,0.006644622,0.00004330623,0.00001965459,0.0000361025,0.0001601924,0.00003441687,0.001964162],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001425904,"threshold_uncertainty_score":0.0047701,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0586788505859922,"score_gpt":0.3824705949769651,"score_spread":0.3237917443909729,"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."}}