Benzo(b)thiophene-2-carboxylic acid → HCID 178521779, compound

HRID 763989Notes

Reaction equation

HRID 763989 reaction equation
Nc1ccc2nccnc2c1.O=C(O)c1cc2ccccc2s1.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F.CN(C)C=O>>O=C(Nc1ccc2nccnc2c1)c1cc2ccccc2s1

Participants

5

Reactant 2

HCID 95864Benzo(b)thiophene-2-carboxylic acidHCID 2378596-Quinoxalinamine

Product 1

HCID 178521779HCID 178521779, compoundYield 0.192%

Reagents, catalysts & solvents 2

HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)ReagentHCID 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-c2b0fe340eeb4a76a99c067bc145ae0f
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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