{"id":"W4323537967","doi":"10.1021/acs.organomet.2c00606","title":"Mechanistic Investigation of Zirconium-Catalyzed Hydroaminoalkylation of Alkynes: Substrate and Ligand Effects","year":2023,"lang":"en","type":"article","venue":"Organometallics","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; University of British Columbia; Mitacs; Canada Research Chairs","keywords":"Chemistry; Alkyne; Catalysis; Ligand (biochemistry); Homoleptic; Protonolysis; Diphenylacetylene; Hydroamination; Zirconium; Combinatorial chemistry; Medicinal chemistry; Alkene; Dimethylamine; Organic chemistry; Photochemistry","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":[0.0002884329,0.0004318877,0.0002873646,0.00007610161,0.0001083953,0.000259201,0.0004377645,0.0003278889,0.001056438],"category_scores_gemma":[0.0002976416,0.0001328644,0.0002036995,0.0001152791,0.0001955727,0.0004181249,0.000187201,0.0003684612,0.0003536607],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003072359,"about_ca_system_score_gemma":0.0002486188,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008905954,"about_ca_topic_score_gemma":0.001903413,"domain_scores_codex":[0.9998823,0.00001490881,0.000009906464,0.0000234114,0.0000248934,0.00004456283],"domain_scores_gemma":[0.9998941,0.00003497381,0.00002701294,0.0000119256,0.00002018631,0.00001174523],"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":[0.0002411582,0.00004831736,0.0004233722,0.0002597599,0.00002039755,0.0002109597,0.00008502749,0.0005698674,0.9932336,0.0004928155,0.00006474296,0.004349911],"study_design_scores_gemma":[0.00001628673,0.0002215805,0.001022465,0.0000091132,0.00001728634,0.0001001747,0.00003266789,0.001686869,0.9954971,0.00007299934,0.001313034,0.00001053525],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9932163,0.001455969,0.002495498,0.00007683005,0.00001127349,0.00004439193,0.0002024106,0.00005672186,0.002440562],"genre_scores_gemma":[0.9972889,0.0008403129,0.001100845,0.00002493785,0.000002607255,0.00001827484,0.0001254033,0.00001135613,0.0005874279],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001056438,"threshold_uncertainty_score":0.003534138,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02124967816773255,"score_gpt":0.2502862840595306,"score_spread":0.229036605891798,"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."}}