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brine","input":{"components":[{"identifiers":[{"type":"SMILES","value":"O"},{"type":"NAME","value":"water"}]},{"identifiers":[{"type":"SMILES","value":"[Na+].[Cl-]"},{"type":"NAME","value":"NaCl"}]}]}},{"type":"DRY_WITH_MATERIAL","details":"dried over MgSO4"},{"type":"CONCENTRATION","details":"concentrated in vacuo"},{"type":"FLASH_CHROMATOGRAPHY","details":"Fluka, 230-400 mesh, solvent system: 20% ethyl acetate/hexane"}],"outcomes":[{"reaction_time":{"value":72,"units":"HOUR"},"products":[{"identifiers":[{"type":"SMILES","value":"CC(=O)C1=CC=C(C2CCCN2C(=O)OCc2ccccc2)C=C1"}],"is_desired_product":true,"measurements":[{"analysis_key":"1h nmr","type":"IDENTITY"},{"analysis_key":"13c 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Experimental record data adapted under CC BY-SA 4.0; https://creativecommons.org/licenses/by-sa/4.0/"},"license":"CC-BY-SA-4.0","license_url":"https://creativecommons.org/licenses/by-sa/4.0/","attribution":"Open Reaction Database contributors and the cited original publications","changes":["Bounded selection across datasets and publications","Deduplicated exact transformations across conditions","Canonicalized molecular structures using RDKit; calculated identifiers, formulae and molecular weights","Explicitly incomplete directed branches for all recorded reactants and positively measured products","Removed submitter account and contact fields from provenance; retained scientific input and outcome fields"]}