{"id":"W3163489566","doi":"10.1039/d1sc01777b","title":"Directed regioselective <i>ortho</i>,<i>ortho</i>′-magnesiations of aromatics and heterocycles using <i>s</i>Bu<sub>2</sub>Mg in toluene","year":2021,"lang":"en","type":"article","venue":"Chemical Science","topic":"Coordination Chemistry and Organometallics","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"De Beers (Canada)","funders":"Deutsche Forschungsgemeinschaft","keywords":"Regioselectivity; Toluene; Chemistry; Medicinal chemistry; Computational chemistry; Organic chemistry; Stereochemistry; 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":[0.0001524694,0.000558054,0.0002614472,0.0001702885,0.0001799938,0.0001725882,0.0003928269,0.0002019156,0.002669982],"category_scores_gemma":[0.0002020874,0.000219005,0.0002044611,0.0002313041,0.0003344928,0.0001874384,0.0003661058,0.0005513508,0.0007764528],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002780129,"about_ca_system_score_gemma":0.0003039704,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001454428,"about_ca_topic_score_gemma":0.003916148,"domain_scores_codex":[0.9997988,0.00003041653,0.00001385979,0.00004785471,0.00002918111,0.0000798703],"domain_scores_gemma":[0.9999244,0.00001282033,0.00002399269,0.00001456138,0.00001074761,0.00001347672],"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":[0.000212241,0.00003105905,0.0001095022,0.0001820379,0.00001529469,0.0001300273,0.0001588999,0.0002065189,0.9934244,0.001111311,0.0005572143,0.003861478],"study_design_scores_gemma":[0.00002249746,0.000216869,0.0005188306,0.000006547528,0.000007680108,0.0001178556,0.00003369625,0.0002382735,0.994786,0.00007315816,0.003968006,0.00001044845],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9410745,0.001617406,0.01196193,0.0003832853,0.0002136089,0.000173933,0.0006218941,0.0004667361,0.0434868],"genre_scores_gemma":[0.9912888,0.0008190054,0.002276398,0.0001089189,0.00002362596,0.00005104721,0.0002383893,0.0001173067,0.005076492],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002669982,"threshold_uncertainty_score":0.008931994,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01234750428012845,"score_gpt":0.2389513433959185,"score_spread":0.22660383911579,"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."}}