Curate this paper into an ORD dataset

Build an Open Reaction Database (ORD) dataset of the reactions reported in:

• Paper: Stereodivergent Construction of Decalin-Based Terpenoids
• Authors: Samantha L. Barlock, Alexander S. Shved, Kayla D. Landers et al.
• Published: ChemRxiv, 2025-09-11
• DOI: 10.26434/chemrxiv-2025-8r6bx
• ORD wishlist card: open on GitHub

The reference input card holds these facts, the source-data locations and the notes below in machine-readable form.

Scope

Every reaction the paper reports with its data (the wishlist estimates about 200 reactions; small HTE): inputs with amounts and roles, conditions, workups, outcomes and provenance, following the ord-curation Skill. Submit one ORD Dataset for the paper; if its data come from several screens or methods, keep them together and say so in the dataset description.

Source data

Source: the SI of the ChemRxiv preprint 10.26434/chemrxiv-2025-8r6bx. The paper is now published as JACS 10.1021/jacs.6c01881 (2026), which has two SI PDFs. The HTE results (about 200 reactions) are in PDF tables. About 70 ligands appear only as drawings or labels and must be converted to structures with correct stereochemistry. The preprint and the JACS version differ in title and author list. Reconcile any differences in the data and cite the version of record (optionally also the preprint). The preprint is CC BY-NC-ND 4.0 and the JACS SI is under ACS terms, so treat the source files as reference only.

Known locations:

• https://doi.org/10.26434/chemrxiv-2025-8r6bx: ChemRxiv preprint (2025-09-11) with the SI HTE tables named on the ORD card. The ChemRxiv API sat behind a Cloudflare challenge (403), so the SI file list was not inspected; only the Crossref metadata was read. (license: CC-BY-NC-ND-4.0 (preprint, per Crossref))
• https://doi.org/10.1021/jacs.6c01881: Version of record, JACS 2026, titled 'Stereodivergent Construction of trans-Decalin-Based Terpenoids'. Crossref lists two SI PDF components, ja6c01881_si_001.pdf and ja6c01881_si_002.pdf. Their contents were not inspected. (license: ACS standard terms (Crossref TDM/VOR policies); not open)

Pitfalls

Stereodivergent chemistry: outcomes probably include diastereo- and enantioselectivity, which need correct ORD encoding. About 70 ligands need stereo-correct SMILES taken from drawings. Numbers may differ between the preprint and JACS SI tables. The table layout must be converted into per-reaction records.

Deliver

• dataset: the ORD Dataset, compressed (.binpb.gz, .pb.gz, .txtpb.gz, .pbtxt.gz or .parquet), citing the DOI above in every reaction's provenance, with no dataset or reaction IDs.
• sources: a .zip with a README.md (which tables or files each part came from, how structures were checked), the template and spreadsheet or the script or notebook that rebuild the dataset, and validation.txt, the output of ORD's validator (ord-schema 0.8.3) on the dataset file.

Before you start

Open the wishlist card. If it is no longer Available, someone has reserved or started it: coordinate with them or choose another paper. Get the source data only through legitimate channels (the publisher's Supporting Information, the repositories above, or the authors). Submitting the finished dataset to ORD, and ORD's separate Dataset Rewards program, follow ORD's own rules.