{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001485743,0.0004318771,0.0004085218,0.00004766803,0.0004306287,0.00009007003,0.0005094008,0.0001702427,0.002111869],"category_scores_gemma":[0.00008935637,0.0004526255,0.0001579795,0.0003616538,0.00008154623,0.0002034357,0.0004917946,0.0007595607,0.00000543881],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001341246,"about_ca_system_score_gemma":0.0001958262,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003134566,"about_ca_topic_score_gemma":0.000001185363,"domain_scores_codex":[0.9977446,0.000008027976,0.0004122029,0.0006612594,0.0002564717,0.0009174204],"domain_scores_gemma":[0.9985278,0.0001029008,0.0001755127,0.0007772449,0.000154823,0.0002617121],"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":[0.0001240483,0.0001426801,0.0000217538,0.0007552486,0.0002248491,0.00007219653,0.0001031883,0.00245039,0.9935035,0.00005732812,0.002499817,0.00004498418],"study_design_scores_gemma":[0.0007026341,0.00002198511,9.950061e-7,0.00003322528,0.00007190199,0.00007725153,0.003193794,0.0004200955,0.742262,0.00000715255,0.2527525,0.0004564421],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9837722,0.001400048,0.0001141096,0.000563244,0.00003600792,0.0002138189,0.00005790997,0.0003931886,0.01344946],"genre_scores_gemma":[0.9799665,0.00005388358,0.0001159826,0.00003862254,0.0001461691,0.0005700037,0.000524667,0.0001154729,0.01846867],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2512415,"threshold_uncertainty_score":0.9997926,"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."}}