Curate this paper into an ORD dataset

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

• Paper: Synthesis of Anti-β-Hydroxytryptophans by Asymmetric Transfer Hydrogenation via Dynamic Kinetic Resolution
• Authors: Scott R. Pollack, Michael R. Berwanger, S. Pailloux
• Published: JOC, 2025-09-26
• DOI: 10.1021/acs.joc.5c01849
• 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 144 reactions; 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 J. Org. Chem. 2025, 10.1021/acs.joc.5c01849. The HTE data (about 144 reactions, asymmetric transfer hydrogenation with dynamic kinetic resolution) is in PDF tables. The tables need cleanup into one row per reaction. SMILES must be made for substrates, catalysts/ligands, hydrogen donors and products. The article is closed access and the SI is under ACS terms, so treat the source as reference only.

Known locations:

• https://doi.org/10.1021/acs.joc.5c01849: J. Org. Chem. 2025 article. By the ORD notes, its SI PDF contains the HTE screening tables. Not fetched because ACS blocks bots. Europe PMC has PMID 41001713 and no PMC full text. (license: ACS standard terms (article closed access; Crossref TDM/VOR policies))

Pitfalls

Outcomes probably include conversion, diastereomeric ratio (anti/syn) and enantioselectivity, which need correct stereo-aware product SMILES and ORD selectivity encoding. Catalyst/ligand identities in the screening tables may be given as abbreviations that must be resolved. SI accessibility was not confirmed.

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.