{"id":"W4302024211","doi":"10.1021/acssuschemeng.2c04409","title":"Beckmann Rearrangement with Improved Atom Economy, Catalyzed by Inexpensive, Reusable, Bronsted Acidic Ionic Liquid","year":2022,"lang":"en","type":"article","venue":"ACS Sustainable Chemistry & Engineering","topic":"Chemical Synthesis and Reactions","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Narodowe Centrum Badań i Rozwoju; Narodowa Agencja Wymiany Akademickiej; Queen's University; Queen's University Belfast","keywords":"Beckmann rearrangement; Ionic liquid; Oleum; Chemistry; Sulfuric acid; Catalysis; Atom economy; Solvent; Inorganic chemistry; Ionic bonding; Atom (system on chip); Organic chemistry; Ion; Computer science","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005685756,0.001032434,0.0004610195,0.0005756118,0.0002420115,0.0004846453,0.0005273185,0.0004448366,0.001244503],"category_scores_gemma":[0.0004317344,0.0003307069,0.0003589251,0.0004956519,0.0004363138,0.0009970138,0.0007206543,0.001255655,0.0009190211],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004840555,"about_ca_system_score_gemma":0.0006942853,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004926543,"about_ca_topic_score_gemma":0.001482835,"domain_scores_codex":[0.9996337,0.00005823253,0.00003826179,0.00006080768,0.0001204869,0.00008853863],"domain_scores_gemma":[0.9998959,0.00001972855,0.00002739733,0.00002210572,0.0000177546,0.00001699836],"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":[0.0001181174,0.00005555825,0.0001277438,0.0001723671,0.0000204456,0.0002271612,0.00005920798,0.0004328614,0.9781392,0.004747656,0.0004254223,0.01547429],"study_design_scores_gemma":[0.00002441786,0.0002427431,0.0002022736,0.00000742013,0.00001741933,0.00026717,0.00001521774,0.001445845,0.9923028,0.0002390167,0.005214707,0.00002115569],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7789797,0.007133902,0.1807676,0.0007227213,0.0003150015,0.0003672097,0.0004894389,0.001878964,0.02934544],"genre_scores_gemma":[0.9136431,0.003691736,0.07301858,0.0001881557,0.00007034667,0.0001538885,0.0004659537,0.0001940741,0.008574062],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001244503,"threshold_uncertainty_score":0.004163325,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002974587025295931,"score_gpt":0.1693975985294129,"score_spread":0.1664230115041169,"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."}}