Reaction data
that powers
discovery
Describe your research question. Review model-proposed criteria and reactions, then curate a dataset with sources and processing history.
From scattered records to
AI-ready datasets
Contribute tables or structured iSynth records. Preserve reported values and sources through validation, then search, select and export data for a research task.
Scattered records
iSynth Data Ecosystem
AI-ready Dataset
Suzuki–Miyaura coupling
DOI: 10.1021/acsomega.2c01809
Nitroaryl HCS coupling
DOI: 10.1021/acs.orglett.0c01269
Heteroaryl HCS coupling
DOI: 10.1021/acs.orglett.0c01269From source records to traceable reaction data
Record reported materials, conditions and measurements. Use tables for ordinary experiments and structured stages and operations for one-pot sequences.
Reactants
Give each reactant its own structure and amount fields, linked by their number. Structure cells accept SMILES or complete InChI.
reactant_1_structureCOc1ccc(Br)cc1reactant_1_amount1.0 mmolreactant_2_structureOB(O)c1ccccc1reactant_2_amount1.2 equivDatasets for research tasks
Provide machine-readable, quality-aware foundations for prediction, condition recommendation, route planning, and closed-loop experiments.
Outcome prediction
Build data for yield and selectivity models
Route planning
Provide observed reactions for synthesis planning research
Condition recommendation
Select reactions for condition comparison and recommendation
Closed-loop optimization
Support result uploads and historical data queries
Built together. Advancing chemistry.
Connect chemists, data curators, and AI researchers around durable, community-maintained scientific data assets.
Join iSynth and accelerate the future of chemistry
Open data · Trusted standards · AI-ready
For chemists
Create · Record · Share
Organize reactions, share valuable data, and receive credit for every contribution.
Contribute reactionsFor data curators
Review · Validate · Govern
Ensure data quality and consistency while maintaining trusted community datasets.
Explore standardsFor AI researchers
Discover · Download · Build
Access high-quality reaction data for search, modeling, and trusted benchmarks.
Explore datasets