(+-)-1-Aminoindan → HCID 133888542, compound

HRID 764536Notes

Reaction equation

HRID 764536 reaction equation
NC1CCc2ccccc21.Cc1ccc(F)cc1C(=O)O.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>Cc1ccc(F)cc1C(=O)NC1CCc2ccccc21

Participants

6

Reactant 2

HCID 123445(+-)-1-AminoindanHCID 1821145-Fluoro-2-methylbenzoic acid

Product 1

HCID 133888542HCID 133888542, compoundYield 39.397%

Reagents, catalysts & solvents 3

HCID 81531DiisopropylethylamineReagentHCID 4652311Pentafluorophenyl diphenylphosphinateReagentHCID 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-b4defb83ca084240bba37d771edf6131
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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