Build an Open Reaction Database (ORD) dataset of the reactions reported in:
The reference input card holds these facts, the source-data locations and the notes below in machine-readable form.
Every reaction the paper reports with its data (the wishlist estimates about 1,235 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: Green Chem. 2025, DOI 10.1039/D5GC04440E (precipitation-first synthesis of an approximately 1,200-member acrylamide library). The data is on Zenodo (https://zenodo.org/records/15496516, CC-BY-4.0). Use Supporting_Scripts.zip (about 20 MB). Its README describes the input files: Patil_Plates.csv and Black_Red.csv (compounds with category labels), EchoMS_Plate*.csv (acoustic-ejection MS, positive and negative mode) and UPLC_Plate1.csv, plus derived tables such as FULL_DF_RGD.csv and EXP_DF.csv. The files include SMILES. The raw AEMS, UPLC and NMR archives are multi-GB; reference them by DOI rather than embedding them. ORD curators note it is not obvious which files hold the final per-reaction outcomes. Document the choice in the dataset description and have the reviewer confirm it. Take reaction conditions from the article's general procedure and cite the paper DOI.
Known locations:
The outcomes are qualitative: category labels (Black, Red or Green) and MS or UV presence-or-absence detection, not isolated yields. Several overlapping CSVs exist (source vs derived), so the reviewer must check that each reaction maps to one well and one set of outcomes. Conditions come from a general procedure in the paper, not per-row data. Raw analytical files are too large to attach.
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.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.