# Curate this paper into an ORD dataset

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

- **Paper:** Manufacturing Process Development for the Biaryl Ether Fragment of Nemtabrutinib (MK-1026)
- **Authors:** Nicholas R. Deprez, Harrison B. Rose, Byron K. Peters et al.
- **Published:** Organic Process Research & Development, 2023-10-24
- **DOI:** [10.1021/acs.oprd.3c00218](https://doi.org/10.1021/acs.oprd.3c00218)
- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570021)

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: 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: Deprez et al., Org. Process Res. Dev. 2023 (doi:10.1021/acs.oprd.3c00218). Manufacturing process development for the biaryl ether fragment of nemtabrutinib (MK-1026). The abstract mentions HTE in the development, but the amount of HTE data and its format are not confirmed. The article is closed-access. One SI PDF (~1.1 MB) exists, with no machine-readable data file. Expect optimization tables and possibly screening heatmaps in the article, plus experimental procedures in the SI. Structures must be drawn from schemes, and no SMILES are provided.

Known locations:

- [https://api.figshare.com/v2/articles/24431156](https://api.figshare.com/v2/articles/24431156): ACS SI PDF op3c00218_si_001.pdf (1.1 MB); contents not inspected (license: Labeled CC BY-NC 4.0 on figshare (ACS SI mirror); not verified against ACS terms)
- [https://doi.org/10.1021/acs.oprd.3c00218](https://doi.org/10.1021/acs.oprd.3c00218): OPRD 2023 article (closed access) (license: ACS standard (closed))

## Pitfalls

Mix of HTE screens (possibly heatmaps with assay yields/LCAP) and scaled process runs with isolated yields. The two may need separate datasets or careful outcome typing. Multi-step fragment synthesis, so different reaction types.

## 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.

## After starting your Attempt

Open the wishlist card and check other Attempts. If the work is completed or already well underway, record the reason before ending your Attempt as abandoned. 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.


## Evaluation and public curator identity

TFP first runs the pinned automatic ORD validator on the exact dataset file, then requires two independent agent reviews; both must pass. Review agents follow the required ord-curation Skill and review.md, use the published model policy, inspect primary sources and independently rebuild the result. Warnings and scientific ambiguities require review even when validation passes. ORD maintainers decide final acceptance separately.

For work commissioned by Tokens for Progress, use public curator name `Tokens for Progress` and email `hello@tokensforprogress.org`; independent contributors use their own confirmed public identity. Do not use reserved example email addresses or fabricate contact details. Include a source coverage manifest and disclose all unresolved data.