# Curate this paper into an ORD dataset

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

- **Paper:** Direct-to-Biology Accelerates PROTAC Synthesis and the Evaluation of Linker Effects on Permeability and Degradation
- **Authors:** Charles E. Hendrick, Jeff R. Jorgensen, Charu Chaudhry et al.
- **Published:** ACS Med Chem Lett, 2022-06-20
- **DOI:** [10.1021/acsmedchemlett.2c00124](https://doi.org/10.1021/acsmedchemlett.2c00124)
- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570041)

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

Paper: Hendrick et al., ACS Med. Chem. Lett. 2022, doi:10.1021/acsmedchemlett.2c00124. The PMC copy is under ACS limited-time personal-use terms, not an open license. The SI PDF has text-extractable tables. Table S2 is the optimization of JQ1-NHS ester amide coupling (24-vial HTE, bases and additives). Tables S3-S4 compare coupling with and without scavenging resin. Tables S6-S9 give well-level CAD results (expected mass, product concentration, CAD yield, retention time, UV purity) for two O-Pom and two tDHU plates. Table S10 lists each N-Boc-diamine linker by plate and well with CAS and MFCD numbers where available, a molecular formula, a structure drawing, and yield and purity for run 1 and run 2. The library is about 91 linkers, each coupled to the two E3-ligand NHS esters, each run in duplicate. Linker SMILES can be resolved from CAS or MFCD where given; the rest must be drawn from the structure images and checked against the formula. The D2B sequence is a telescoped three-step process with no purification, and yields are CAD-derived against a noscapine calibration.

Known locations:

- [https://europepmc.org/article/PMC/PMC9290060](https://europepmc.org/article/PMC/PMC9290060): Author manuscript full text in PMC/Europe PMC; supplementary file ml2c00124_si_001.pdf (larger than 5 MB) with Tables S1-S10, including CAD quantification tables for O-Pom and tDHU plates in duplicate runs and linker-to-well table with CAS/MFCD (license: ACS 'made available for a limited time for personal research and study only' (not an open license, although OpenAlex reports green OA))
- [https://doi.org/10.1021/acsmedchemlett.2c00124](https://doi.org/10.1021/acsmedchemlett.2c00124): ACS Med. Chem. Lett. 2022 article and SI on publisher site (license: ACS publisher terms)

## Pitfalls

This is a multi-step telescoped sequence (coupling, deprotection, coupling) with crude intermediates, which ORD must represent either as linked reactions or as one reaction with an explicit multi-stage description. Yields are CAD-quantified crude values, not isolated, and are reported as decimals in S10 but as percentages in S6-S9. The duplicate runs must be kept as separate reactions or outcomes. Some linkers lack CAS/MFCD, so SMILES must come from structure images. Cellular assay data in the paper is outside ORD scope.

## 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.