{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004929046,0.0001041263,0.0002894441,0.0001869074,0.000043535,0.00001366751,0.0002550727,0.00005185001,0.000009268098],"category_scores_gemma":[0.0003761927,0.00008682501,0.0002364585,0.002021043,0.0001081325,0.0002862893,0.00005379843,0.0005796923,0.000001142756],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009584417,"about_ca_system_score_gemma":0.0001350483,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006069037,"about_ca_topic_score_gemma":0.0001102353,"domain_scores_codex":[0.9987121,0.0000734624,0.000537049,0.0001645388,0.0003428957,0.0001699667],"domain_scores_gemma":[0.9984394,0.000178655,0.0009908555,0.0001732271,0.0001630641,0.0000548256],"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":[0.00003807572,0.000163661,0.0135348,0.0000132648,0.00007101458,8.332415e-7,0.002425557,0.0002694817,0.9742695,0.000007192424,0.00005197576,0.009154612],"study_design_scores_gemma":[0.0005289922,0.00002317463,0.1127597,0.0001227263,0.00005151581,0.00001586587,0.009015901,0.006469979,0.8703642,0.0004807861,0.00004054953,0.0001265025],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9993976,0.000034976,0.00001670101,0.0003513542,0.00006443088,0.00004348256,0.000005884023,0.00001381538,0.00007180215],"genre_scores_gemma":[0.9995372,0.0001049996,0.0001431796,0.00004045237,0.0001233346,0.000008460593,0.00001422002,0.00001283465,0.00001528268],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1039053,"threshold_uncertainty_score":0.3540621,"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."}}