Benzofuran-2-carboxylic acid → HCID 682562, compound
Reaction equation
CCOC(=O)c1cccc(N)c1.O=C(O)c1cc2ccccc2o1.C1CCC(CC1)N=C=NC2CCCCC2.C1=C(C(=CC(=C1Cl)Cl)Cl)[O-].[Na+].CCN(C(C)C)C(C)C.CN(C)C=O>>CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1Participants
7
Reactant 2
Product 1
Reagents, catalysts & solvents 4
Conditions
- Temperature
- 25 °C
Workup
- addition150 uL of MeCN/H2O (1:1) mixed solvent was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
- addition150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
- aliquot10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
- addition380 uL MeCN solvent were added to the transfer plate
- aliquot20 uL taken from transfer plate to filter plate 1 for LCMS analysis
- addition180 uL MeCN added to filter plate 1 for LCMS analysis
- aliquot10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
- addition190 uL MeCN added to filter plate 2 for TOF-DESI analysis
- customthe 96-well filter plates were centrifuged for 2.5 min at 3000 RPM
Sources & evidence
- ORD record
- ord-f5ac708f89de4de89b0800384c8207f8
- Source dataset
- AIChemEco amide coupling conditions 47k dataset
Reaction notes
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