{"id":"W2059560227","doi":"10.1021/jo9026325","title":"The Mechanism of Nucleophilic Displacements at Phosphorus in Chloro-Substituted Methylphosphonate Esters: P−O vs P−C Bond Cleavage: A DFT Study","year":2010,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Toronto Metropolitan University","funders":"","keywords":"Cleavage (geology); Nucleophile; Bond cleavage; Chemistry; Phosphorus; Medicinal chemistry; Mechanism (biology); Stereochemistry; Organic chemistry; Catalysis; Materials science; Physics","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001487897,0.0003713409,0.0005450447,0.00003225948,0.0002244744,0.00005324653,0.001467986,0.0002642077,0.001514108],"category_scores_gemma":[0.0007751607,0.0002419655,0.0002049078,0.0003732019,0.0001973265,0.000142742,0.0004532101,0.00166058,0.00002303165],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000362139,"about_ca_system_score_gemma":0.0001905701,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004084994,"about_ca_topic_score_gemma":0.00007161326,"domain_scores_codex":[0.9970485,0.00003457617,0.001202305,0.0002843002,0.0009631597,0.0004671465],"domain_scores_gemma":[0.9967553,0.0005969733,0.001227646,0.0009903079,0.0002099674,0.0002198056],"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":[0.0009657724,0.0005029232,0.000550908,0.00005805356,0.0001881658,0.00004165903,0.0008707346,0.000001452561,0.9962398,0.00002903355,0.0002135471,0.0003379121],"study_design_scores_gemma":[0.002632399,0.00005578115,0.0003231081,0.00007917341,0.0002003386,0.000357777,0.002615985,0.00002757251,0.9920923,0.0007338772,0.0006490981,0.0002326489],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977887,0.000250837,0.00002013206,0.0003301889,0.0003719294,0.0001643301,0.00001125461,0.00002584987,0.001036826],"genre_scores_gemma":[0.9985896,0.0002477905,0.00008637415,0.0000369874,0.0001610524,0.000007100538,0.000003507988,0.00006735714,0.0008002773],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004147597,"threshold_uncertainty_score":0.9993986,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006743356534250032,"score_gpt":0.2349993529568697,"score_spread":0.2282559964226197,"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."}}