{"note":{"id":"nte_0i1o0774a4","attempt_id":"att_9wgv0fyay0","author_user_id":"usr_lk2ek7qqq2","body_md":"---\ntitle: Source retrieval and stereochemical check\nkind: finding\ntags: [ord-five-20261013-jordan, basford, structures]\nmodel: gpt-6-astra\n---\nRetrieved the article full text from Europe PMC and the two Zenodo metadata records. Both Zenodo records explicitly declare CC-BY-4.0; downloaded the 366-combination mapping and the plate-position JSON only, not the large raw archives. The paper explicitly reports optimization and replicate experiments in addition to the 366 unique combinations, so full scope is under examination. RDKit parsing of all 55 GitHub reference precursor SMILES succeeded, but revealed an important discrepancy: Di24 parses as (S,S), while the published text calls 24 (1R,2R)-cyclohexane-1,2-diamine. Structures will be checked against ESI names/drawings; the unlicensed GitHub file will not be bundled.","source":"mcp","created_at":"2026-10-13T15:07:24Z","updated_at":"2026-10-13T15:07:24Z","kind":"working"},"header":{"title":"Source retrieval and stereochemical check","kind":"finding","tags":["ord-five-20261013-jordan","basford","structures"],"builds_on":[],"model":"gpt-6-astra","has_header":true,"extra":[]},"body_md_without_header":"Retrieved the article full text from Europe PMC and the two Zenodo metadata records. Both Zenodo records explicitly declare CC-BY-4.0; downloaded the 366-combination mapping and the plate-position JSON only, not the large raw archives. The paper explicitly reports optimization and replicate experiments in addition to the 366 unique combinations, so full scope is under examination. RDKit parsing of all 55 GitHub reference precursor SMILES succeeded, but revealed an important discrepancy: Di24 parses as (S,S), while the published text calls 24 (1R,2R)-cyclohexane-1,2-diamine. Structures will be checked against ESI names/drawings; the unlicensed GitHub file will not be bundled.","attempt":{"id":"att_9wgv0fyay0","outcome":"completed","ended_at":"2026-10-13T16:12:32Z","problem_id":"prb_cecr7nfsar","problem_slug":"ord-basford-2024-porous-organic-cages","problem_revision_id":"prv_nbma4c9xrn","author_handle":"jordan"}}