{"id":"W4400097935","doi":"10.1038/s41467-024-49681-4","title":"Phase transfer catalysts shift the pathway to transmetalation in biphasic Suzuki-Miyaura cross-couplings","year":2024,"lang":"en","type":"article","venue":"Nature Communications","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of British Columbia","funders":"Natural Resources Canada; Canada Foundation for Innovation; Natural Sciences and Engineering Research Council of Canada; Government of Canada; Advanced Research Projects Agency; Defense Advanced Research Projects Agency","keywords":"Transmetalation; Catalysis; Palladium; Chemistry; Electrophile; Phase (matter); Combinatorial chemistry; Substrate (aquarium); Coupling reaction; Aqueous two-phase system; Organic chemistry; Biology","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":["metaepi_narrow","research_integrity"],"consensus_categories":[],"category_scores_codex":[0.0005475272,0.0002933352,0.0002554742,0.0002654499,0.0005219103,0.0005182183,0.001642057,0.0004624128,0.0001510163],"category_scores_gemma":[0.0002078621,0.0002478006,0.000253161,0.00146477,0.00030945,0.0003765065,0.0001470202,0.002388238,0.0001736076],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002977715,"about_ca_system_score_gemma":0.0002388269,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002355441,"about_ca_topic_score_gemma":0.003147115,"domain_scores_codex":[0.998174,0.000003928104,0.000587168,0.000501168,0.0003571514,0.0003766236],"domain_scores_gemma":[0.9960196,0.0009001129,0.00003937071,0.002779859,0.0001354268,0.0001256373],"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":[0.0001063794,0.001142058,0.001862087,0.0002366396,0.0002338867,0.00002578284,0.01300688,0.0007535921,0.9267287,0.03723053,0.0007816138,0.01789184],"study_design_scores_gemma":[0.004324507,0.00008914382,0.009061101,0.0008810166,0.0004154534,0.0001502932,0.0009461321,0.02992493,0.5272776,0.002290967,0.4230041,0.001634799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9795462,0.007682423,0.0004024413,0.009045715,0.0003322087,0.0004037929,0.0004397936,0.0004423355,0.001705125],"genre_scores_gemma":[0.9974989,0.0001623439,0.00007696796,0.0001944943,0.0001318984,0.0002904471,0.0008631254,0.00007349713,0.0007083711],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4222224,"threshold_uncertainty_score":0.9999974,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0219804372566623,"score_gpt":0.3567212615932722,"score_spread":0.3347408243366099,"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."}}