{"id":"W4205556399","doi":"10.1021/acscatal.1c05386","title":"Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","year":2022,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Killam Trusts; Dalhousie University","keywords":"Reductive elimination; Aryl; Nickel; Chemistry; Catalysis; Deprotonation; Nucleophile; Combinatorial chemistry; Medicinal chemistry; Stereochemistry; Organic chemistry","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":[0.0003099978,0.0003523251,0.0001700439,0.0001324763,0.0002820655,0.0004833318,0.0005612917,0.0003700776,0.001877164],"category_scores_gemma":[0.0003881986,0.0002008538,0.0001747673,0.00007754749,0.0002767969,0.0006855214,0.0002939644,0.0003015665,0.0003334479],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005960311,"about_ca_system_score_gemma":0.000587531,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001649697,"about_ca_topic_score_gemma":0.003375382,"domain_scores_codex":[0.9999138,0.0000101004,0.000004470984,0.00002260903,0.00002442645,0.00002452414],"domain_scores_gemma":[0.9999275,0.00002632703,0.00001590943,0.000009529474,0.00001215867,0.000008657443],"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":[0.001541596,0.0006291578,0.01453924,0.002526274,0.0002102452,0.002725251,0.001023309,0.1182877,0.6655509,0.146621,0.001790898,0.04455438],"study_design_scores_gemma":[0.0002749604,0.001397926,0.006547153,0.0001287326,0.0001509868,0.0009140344,0.0006466675,0.3382598,0.6161789,0.02128392,0.01410487,0.0001120067],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9783586,0.0003882546,0.009417556,0.0000800019,0.00001347764,0.00005486727,0.0001060589,0.00009988943,0.01148128],"genre_scores_gemma":[0.9964238,0.0003078429,0.00252785,0.00001432462,0.000001330127,0.00002949971,0.00009006068,0.000008258526,0.000597094],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001877164,"threshold_uncertainty_score":0.006279707,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01273167464714435,"score_gpt":0.278140457256377,"score_spread":0.2654087826092327,"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."}}