{"id":"W2159833892","doi":"10.1002/ejoc.201101301","title":"Facial Selectivity in the Diels–Alder Reactions of 2,2‐Disubstituted Cyclopent‐4‐ene‐1,3‐dione Derivatives and a Computational Examination of the Facial Selectivity of the Diels–Alder Reactions of Structurally Related Dienes and Dienophiles","year":2011,"lang":"en","type":"article","venue":"European Journal of Organic Chemistry","topic":"Asymmetric Synthesis and Catalysis","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Selectivity; Steric effects; Bicyclic molecule; Cyclopentene; Ene reaction; Heptane; Octane; Diels–Alder reaction; Stereochemistry; Medicinal chemistry; Organic chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003485315,0.000533394,0.0006113051,0.0002918789,0.0003296061,0.0005256673,0.0003890221,0.0004131672,0.002412779],"category_scores_gemma":[0.0004000684,0.000223459,0.0005523376,0.0002217007,0.0002947067,0.0004027698,0.0002372337,0.0003798215,0.0002153006],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006982697,"about_ca_system_score_gemma":0.0005881354,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003813182,"about_ca_topic_score_gemma":0.005631755,"domain_scores_codex":[0.9999195,0.00001690382,0.000003536954,0.00001161888,0.00002147452,0.00002688109],"domain_scores_gemma":[0.9998591,0.00008513438,0.00001689777,0.00001094512,0.00001511719,0.0000127054],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0005073168,0.0001867886,0.00551978,0.0003396871,0.0001011862,0.0005030741,0.00007659703,0.9356752,0.03127673,0.01569422,0.0006421822,0.009477248],"study_design_scores_gemma":[0.0001084426,0.0004876742,0.002624873,0.00001692494,0.00006518747,0.00007969589,0.00008722783,0.9795942,0.01394817,0.001910775,0.00105378,0.00002311109],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9915487,0.0002332161,0.002155203,0.00005422414,0.00001315175,0.00002356426,0.0002421484,0.00004860857,0.00568124],"genre_scores_gemma":[0.9974908,0.000190631,0.001403151,0.00002691865,0.000003341202,0.00003412023,0.0002025587,0.000009712251,0.0006387865],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003813182,"threshold_uncertainty_score":0.008071482,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01470892681947844,"score_gpt":0.2016427790895758,"score_spread":0.1869338522700974,"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."}}