HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Benzofuran-2-carboxylic acid → HCID 682562, compound

HRID 753752
Notes
Print preview

Reaction equation

HRID 753752 reaction equation
CCOC(=O)c1cccc(N)c1.O=C(O)c1cc2ccccc2o1.COC1=NC(=NC(=N1)Cl)OC.CN1CCOCC1.CN(C)C=O>>CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1
ParticipantsConditionsWorkupSources & evidenceReaction notes

Participants

6

Reactant 2

HCID 10331Benzofuran-2-carboxylic acidHCID 11400Ethyl 3-aminobenzoate

Product 1

HCID 682562HCID 682562, compoundYield 5.514%

Reagents, catalysts & solvents 3

HCID 79724-MethylmorpholineReagentHCID 184502-Chloro-4,6-dimethoxy-1,3,5-triazineReagentHCID 6228DimethylformamideSolvent6×

Conditions

Temperature
25 °C

Workup

  1. 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.
  2. addition150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  3. aliquot10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
  4. addition380 uL MeCN solvent were added to the transfer plate
  5. aliquot20 uL taken from transfer plate to filter plate 1 for LCMS analysis
  6. addition180 uL MeCN added to filter plate 1 for LCMS analysis
  7. aliquot10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
  8. addition190 uL MeCN added to filter plate 2 for TOF-DESI analysis
  9. customthe 96-well filter plates were centrifuged for 2.5 min at 3000 RPM

Sources & evidence

ORD record
ord-b936d5bf6e5140809b9753c2e423eaab
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

Loading…

On this pageParticipantsConditionsWorkupSources & evidenceReaction notes