{"id":"W4318025357","doi":"10.1021/jacs.2c10975","title":"Role of Noncovalent Interactions in Inducing High Enantioselectivity in an Alcohol Reductive Deoxygenation Reaction Involving a Planar Carbocationic Intermediate","year":2023,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Council of Scientific and Industrial Research, India","keywords":"Chemistry; Carbocation; Nucleophile; Deoxygenation; Enantioselective synthesis; Catalysis; Non-covalent interactions; Phosphoramidite; Reductive elimination; Electrophile; Borane; Combinatorial chemistry; Organic chemistry; Molecule; Hydrogen bond","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":[0.0001301287,0.0002511897,0.0001822446,0.0001090609,0.0001470788,0.0003236682,0.0003214522,0.0002098691,0.0007877568],"category_scores_gemma":[0.0001617133,0.0001409608,0.0001740021,0.00008779956,0.0002345067,0.0002110253,0.0002804529,0.0003607178,0.0002101023],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002252142,"about_ca_system_score_gemma":0.0001900272,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007358992,"about_ca_topic_score_gemma":0.001162708,"domain_scores_codex":[0.9999235,0.00001244106,0.000003536287,0.00001313817,0.00001976757,0.0000275666],"domain_scores_gemma":[0.9999647,0.00001065884,0.000008940381,0.000004650797,0.000004543221,0.000006542132],"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":[0.0004989423,0.0001495328,0.0009269814,0.0003134471,0.00004713777,0.0004562816,0.0001442761,0.006306765,0.9651533,0.01037257,0.0002596546,0.01537092],"study_design_scores_gemma":[0.00005556902,0.000534489,0.001526325,0.00001399066,0.00004607985,0.000243137,0.00008582683,0.03011773,0.9636511,0.001050027,0.002637987,0.00003762187],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9895653,0.0006016156,0.004120733,0.00006411855,0.00001364127,0.00001365751,0.00003441255,0.00009338862,0.005493153],"genre_scores_gemma":[0.9988939,0.0001896075,0.0006332567,0.000009978286,0.000001479741,0.000003958655,0.00001751775,0.000006541543,0.000243912],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007877568,"threshold_uncertainty_score":0.00263536,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01563093959672322,"score_gpt":0.2854876011851369,"score_spread":0.2698566615884137,"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."}}