{"id":"W2268789621","doi":"10.1021/acs.orglett.5b03590","title":"Divergent Reactivity of <i>N</i>-Isocyanates with Primary and Secondary Amines: Access to Pyridazinones and Triazinones","year":2016,"lang":"en","type":"article","venue":"Organic Letters","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Ontario Ministry of Research and Innovation; Natural Sciences and Engineering Research Council of Canada; Ontario Ministry of Research, Innovation and Science; Canada Foundation for Innovation; University of Ottawa","keywords":"Chemistry; Isocyanate; Reactivity (psychology); Primary (astronomy); Amine gas treating; Nucleophile; Ketone; Organic chemistry; Combinatorial chemistry; Medicinal chemistry; Polyurethane; Catalysis","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":[0.000258283,0.0004480616,0.0002278014,0.0002263005,0.0001577285,0.0003185597,0.0003420168,0.000294528,0.001182199],"category_scores_gemma":[0.0002136817,0.0001976245,0.0001802831,0.0001493415,0.0003014665,0.0003617321,0.0003176699,0.0005004403,0.0005003551],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002574255,"about_ca_system_score_gemma":0.0001956197,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002465493,"about_ca_topic_score_gemma":0.0006063019,"domain_scores_codex":[0.9998322,0.00002885189,0.00001344004,0.00004431179,0.00003801208,0.00004319451],"domain_scores_gemma":[0.9998814,0.000028784,0.00003076928,0.00001670663,0.00001887298,0.00002354333],"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":[0.00008681126,0.00001918519,0.00009211798,0.00007675664,0.000006189492,0.0002086864,0.00006219287,0.0001559174,0.9953826,0.0007999347,0.00007634715,0.003033158],"study_design_scores_gemma":[0.00001286303,0.0001631454,0.0003673976,0.000005383991,0.000005815788,0.0002539795,0.00001347225,0.0003635083,0.9969656,0.0001053276,0.001735548,0.000007939769],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.955245,0.002716726,0.01846077,0.0001758422,0.0001007786,0.000121329,0.0001825348,0.0002211318,0.02277583],"genre_scores_gemma":[0.9908124,0.001396112,0.005153371,0.0000516485,0.0000124524,0.0000378748,0.000101083,0.00002777226,0.002407457],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001182199,"threshold_uncertainty_score":0.003954828,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009697173168220444,"score_gpt":0.206122001414915,"score_spread":0.1964248282466945,"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."}}