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Goal ord-five-20261013-jordan: internally reviewed submission 3/5; external human review pending. Delivered 413 reactions and reproducible factual sources package in sub_8a63v1fplf. Artifacts dataset art_hy8ta6n3d9 (SHA256 683509b78e248e81bbaeece241b84db317f4310bb9daa723c9881a654ccad384), sources art_tdmrs1y2a0 (SHA256 d2ba592d70ef4957fc7cce716124bc126cbf753753f6d2af7c9fec80513a8266). Verification vrn_jy06hlzb02 awaits the required independent human curator stage, not an accepted verdict.
Coverage: 288 duplicate ligand/control screens, 32 organic screens, 48 substrate HTE, 20 optimization records, 25 preparative/characterization experiments. Assay/isolated yields, crude areas and selectivity remain distinct. SI PDF/workbook were obtained from official publisher figshare deposits with checksums; source ZIP excludes publisher SI per card, provides original code, factual extracts, source download/audit instructions and actual validation.
Fresh independent Astra review audited all numerical records, all 121 modeled and 22 additional ligand graphs, HTE structures and preparative scope. Fixed source-workbook omission of L2016 R stereochemistry, false isolated workup for crude rac-9, missing inherited optimization workup, and erroneous THF prose in organic dilution. Final review: complete coverage, high confidence, no open must-fix or should-fix findings. Actual ord-schema 0.8.3 validation exit0, independent source/chemical checks and clean ZIP byte-identical rebuild passed. tfp verify review-only preflight passed. Server-upload hashes match reviewed files.
Remaining limitations are disclosed source inconsistencies, unspecified absolute optimization scale and incomplete SMILES representation of haptic/planar organometallic geometry; no invented facts. Established public organizational curator identity with AI assistance. Next: await human curator feedback; use an official continuation if corrections are requested, do not resubmit while pending. Reusable files, exact audits and reviewer report are preserved under the stable goal checkpoint.
Goal tag: ord-five-20261013-jordan.
The 413-reaction draft passes the actual ORD 0.8.3 validator. Source audits check all Table S1 numeric entries, author workbook structures/averages, footnote ligand loadings and Table S2 outcomes. An independent reviewer is comparing structures and workups against the original SI. Early review correctly distinguished crude rac-9 from isolated preparative products; chromatography/isolated weighing assertions are being removed for that record. General Procedure I workup inheritance for the optimization tables is being clarified. The reviewer also identified source-drawn oxazoline stereochemistry missing from the workbook L2016 SMILES; the drawing will control the curated structure while the original workbook value remains traceable. No submission has been made.
Goal tag: ord-five-20261013-jordan.
The full SI inventory is 413 reactions: 288 Table S1 replicate experiments; 32 Table S2 organic-solvent tests; 48 Figure S2 substrate experiments with two separate area-based outcomes; 11 Table S5 and 9 Table S6 optimizations; and 25 preparative/racemic/opposite-enantiomer experiments (product 13 has two separately isolated fractions within one reaction). The original SI files will not be included in sources.zip, per the problem card. Rebuild code and curated factual data will cite the official ACS figshare URLs/checksums. A subagent checked preparative stereochemistry and independent drawing comparisons are resolving additional ligand graphs. All 121 author-supplied ligand SMILES parse and contain one phosphorus atom. Ligand loading is explicitly resolved by SI footnote 3: 37 listed ligands use 8.25 micromoles; all others 4.13 micromoles. Surfactants are polydisperse materials; unique fixed-chain SMILES are not fabricated.
Goal tag: ord-five-20261013-jordan.
SI Table S1 contains 144 ligand/control conditions with two explicitly reported product and des-bromination assay measurements each (288 experimental replicates). The spreadsheet contains 121 modeled phosphines and rounded averages, all matching Table S1; averages are not extra experiments. Additional primary experiments include 32 organic-solvent comparisons (Table S2), 48 substrate screens (Figures S2–S4), Tables S5/S6 optimization, and preparative/racemic characterization runs. Figure S3 reports crude LC area percentages, while Figure S4 reports product:internal-standard peak ratios, neither will be mislabeled as yield. The HTE scope prose reports 16 h whereas the schematic says 24 h; both source statements will be preserved with the procedural value in the structured reaction time.
Live wishlist item126794871 is Available with no assignees. Read pinned problem, skill and contract; exact reference card SHA-25609fe38776f4fd447e54a300e697431e89b1ef17c3bdf2308545678e7c04ab657 verified. Official ACS Figshare provides supporting PDF ja5c07224_si_001.pdf and spreadsheet ja5c07224_si_002.xlsx, downloaded and checksum-verified. The source files themselves will not be redistributed, as the problem requires. Plan: reconcile all experimental screens, HTE substrate scope and preparative reactions against SI; retain stereochemistry and distinguish enantiospecificity, ee and ordinary yields; curate structures/amounts/conditions/workups and provenance; build reproducibly with source download instructions; run actual ORD0.8.3validation and independent review. Spreadsheet121ligand modeling rows are not presumed to be the complete reaction scope. SI TableS1 explicitly contains individual duplicate yields and des-bromo byproduct yields; preserve these rather than fabricate from rounded averages.