{"id":"W2953303801","doi":"10.1021/jo101030b","title":"Conjugate Additions, Aza-Cope, and Dissociative Rearrangements and Unexpected Electrocyclic Ring Closures in the Reactions of 2-(2-Pyrrolidinyl)-Substituted Heteroaromatic Systems with Acetylenic Sulfones","year":2010,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Organic and Inorganic Chemical Reactions","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Carbocation; Conjugate; Zwitterion; Electrocyclic reaction; Ring (chemistry); Bond cleavage; Medicinal chemistry; Dissociation (chemistry); Aryne; Stereochemistry; Bicyclic molecule; Organic chemistry; Catalysis; Molecule","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0004281089,0.0002146052,0.0003740553,0.00003492041,0.0001879898,0.00005203481,0.0003418963,0.0001516596,0.0003278345],"category_scores_gemma":[0.0004862075,0.0001297595,0.00005135619,0.0003256143,0.0002715743,0.0001757625,0.00005536196,0.001002396,0.000001327104],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008421289,"about_ca_system_score_gemma":0.000114066,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005337107,"about_ca_topic_score_gemma":0.00006596768,"domain_scores_codex":[0.998571,0.0000540308,0.0006294018,0.0001564044,0.0003475795,0.0002415172],"domain_scores_gemma":[0.9981074,0.0005812971,0.0007368524,0.000332893,0.0001484557,0.00009309313],"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":[0.00007664004,0.0001160069,0.001248128,0.0001504181,0.0001877108,0.000005610094,0.001056633,6.728176e-7,0.997003,0.00001629681,0.0001007039,0.00003815704],"study_design_scores_gemma":[0.001643922,0.00004110287,0.005307589,0.000357012,0.0003681765,0.00171403,0.006700539,0.00002793259,0.9831907,0.0001257417,0.0003227357,0.0002005649],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979243,0.000574713,0.00001426781,0.0004101064,0.00004414651,0.00009594545,0.00002617813,0.00001835035,0.0008919712],"genre_scores_gemma":[0.9990189,0.0006031865,0.00004406668,0.00001421368,0.0001541966,0.000005956132,0.00001091473,0.0000268092,0.0001217614],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01381237,"threshold_uncertainty_score":0.5291439,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005561813725203365,"score_gpt":0.2084329166015203,"score_spread":0.2028711028763169,"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."}}