{"id":"W3006293148","doi":"10.1021/acs.oprd.0c00018","title":"Exploring Homogeneous Conditions for Mild Buchwald–Hartwig Amination in Batch and Flow","year":2020,"lang":"en","type":"article","venue":"Organic Process Research & Development","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":47,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; University of Ottawa","keywords":"Amination; Xantphos; Chemistry; Sonogashira coupling; Homogeneous; Functional group; Combinatorial chemistry; Continuous flow; Base (topology); Borylation; Organic chemistry; Catalysis; Palladium; Biochemical engineering; Aryl; Mathematics; Polymer","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004334407,0.0001640723,0.0001927251,0.000164356,0.0004291265,0.0001497829,0.000256877,0.00008538197,0.0003636364],"category_scores_gemma":[0.001014796,0.0001845568,0.000025192,0.0006712301,0.000103276,0.0002624611,0.0001640292,0.0004026331,0.00007299361],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004864754,"about_ca_system_score_gemma":0.000718386,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001571013,"about_ca_topic_score_gemma":0.0001046036,"domain_scores_codex":[0.9980395,0.000002723278,0.0003554194,0.0005323325,0.0005401277,0.0005299028],"domain_scores_gemma":[0.9988798,0.0002829817,0.00004941131,0.0001815666,0.0003735303,0.0002326726],"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":[0.0001309107,0.0002916733,0.001330985,0.001680842,0.00008280938,0.00003856461,0.01993468,0.0001586195,0.9479954,0.0001352617,0.0005505528,0.02766969],"study_design_scores_gemma":[0.0007394387,0.00002926616,0.001326958,0.0001436411,0.000008314916,0.00001748173,0.00326787,0.003516787,0.9873227,0.0004913092,0.002863495,0.0002726902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996672,0.0001279252,0.0004386779,0.002011974,0.00003705317,0.0003525319,0.00004547264,0.0001060101,0.0002083556],"genre_scores_gemma":[0.9976937,0.0001437818,0.0005186453,0.00003516151,0.0001077711,0.0009500786,0.0002014707,0.00004910427,0.0003002836],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03932733,"threshold_uncertainty_score":0.7526006,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.2024937975347083,"score_gpt":0.3768955893017821,"score_spread":0.1744017917670738,"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."}}