{"id":"W4378672942","doi":"10.1002/ejoc.202300374","title":"Mechanochemical Desymmetrization of Unbiased Bis‐ and Tris‐alkynes to Access 3,5‐Isoxazoles‐Alkyne Adducts and Unsymmetrical Bis‐3,5‐isoxazoles**","year":2023,"lang":"en","type":"article","venue":"European Journal of Organic Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Concordia University","funders":"Fonds de recherche du Québec – Nature et technologies; Natural Sciences and Engineering Research Council of Canada","keywords":"Alkyne; Isoxazole; Chemistry; Nitrile; Adduct; Tris; Cycloaddition; Desymmetrization; 1,3-Dipolar cycloaddition; Combinatorial chemistry; Medicinal chemistry; Organic chemistry; Catalysis; Enantioselective synthesis","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":[0.0002101819,0.0003618195,0.0001039509,0.0001106703,0.00008812181,0.0001447931,0.0002039838,0.0001899861,0.001216797],"category_scores_gemma":[0.0001960304,0.0001365598,0.0001436134,0.0001007276,0.0002201399,0.0002435027,0.0002204514,0.0003579837,0.0003511397],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002248589,"about_ca_system_score_gemma":0.0002654957,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003400304,"about_ca_topic_score_gemma":0.001347417,"domain_scores_codex":[0.9998841,0.00001235827,0.00001086736,0.00002932773,0.00002479767,0.00003847726],"domain_scores_gemma":[0.9998994,0.00001821188,0.00003536675,0.00002042805,0.00001506326,0.00001158755],"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":[0.00003522941,0.00002082794,0.00008803586,0.00005641704,0.000005702844,0.00009505648,0.00003753139,0.0001974203,0.9946713,0.001092089,0.0001331237,0.003567267],"study_design_scores_gemma":[0.00000853473,0.0001011617,0.0003771606,0.000002731466,0.000003055855,0.0001161917,0.00001289708,0.0003940334,0.9963815,0.00008830598,0.0025083,0.000006125541],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9613044,0.001159806,0.02894078,0.0002567045,0.0001491073,0.0001075942,0.0002715827,0.0001867598,0.00762336],"genre_scores_gemma":[0.9884669,0.0006963747,0.007876337,0.00006574843,0.00001213119,0.00004710387,0.0001366555,0.00002742037,0.002671371],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001216797,"threshold_uncertainty_score":0.00407058,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01448247485341345,"score_gpt":0.2485669372656845,"score_spread":0.234084462412271,"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."}}