{"id":"W4405212035","doi":"10.26434/chemrxiv-2024-sgwcn-v2","title":"Accessing Azetidines through Magnesium-Mediated Nitrogen Atom Transfer from Iminoiodinane to Donor-Acceptor Cyclopropanes","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Cyclopropane Reaction Mechanisms","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; York University; National Institutes of Health; Pfizer; American Chemical Society Green Chemistry Institute Pharmaceutical Roundtable","keywords":"Chemistry; Nucleophile; Lewis acids and bases; Amide; Chemoselectivity; Ring (chemistry); Magnesium; Catalysis; Acceptor; Medicinal chemistry; Azetidine; Transition metal; Alkyl; Combinatorial chemistry; Stereochemistry; Organic chemistry","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":[0.0001538743,0.0005094138,0.0001478523,0.0001624288,0.0001558193,0.0002718727,0.0003185536,0.0002521396,0.002354863],"category_scores_gemma":[0.0001233399,0.0001131188,0.0001640734,0.0001206266,0.0002411912,0.0004492795,0.0003772682,0.0004300271,0.0007838189],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002885316,"about_ca_system_score_gemma":0.0001634179,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002292025,"about_ca_topic_score_gemma":0.0004863224,"domain_scores_codex":[0.9999129,0.00001154522,0.000006179751,0.00002556876,0.00001723908,0.00002658292],"domain_scores_gemma":[0.9999634,0.000008506815,0.00001151105,0.000005019236,0.000003488314,0.00000807076],"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":[0.0001592171,0.00004354554,0.0002298749,0.0003288889,0.00001402995,0.0005653323,0.0001552871,0.000476474,0.9837391,0.003877389,0.0003852271,0.01002557],"study_design_scores_gemma":[0.0000183586,0.000190842,0.0002826914,0.00001118147,0.00001205029,0.0003678341,0.00002319851,0.0005574357,0.9860942,0.0002103605,0.01222362,0.000008237517],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9221401,0.008634166,0.02726526,0.0004417521,0.0001768709,0.0001741829,0.0005480466,0.0003880215,0.04023155],"genre_scores_gemma":[0.9844425,0.002672234,0.006824608,0.00007110682,0.00003033463,0.00005905108,0.000214568,0.00003706928,0.005648534],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002354863,"threshold_uncertainty_score":0.007877767,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02788300548887919,"score_gpt":0.2675301223645902,"score_spread":0.239647116875711,"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."}}