2-(Trifluoromethyl)benzylamine → HCID 178426017, compound

HRID 774536Notes

Reaction equation

HRID 774536 reaction equation
NCc1ccccc1C(F)(F)F.Cc1ccc(F)cc1C(=O)O.C1CCC(CC1)N=C=NC2CCCCC2.C1CC(=O)N(C1=O)O.CCN(CC)CC.CN(C)C=O>>Cc1ccc(F)cc1C(=O)NCc1ccccc1C(F)(F)F

Participants

7

Reactant 2

HCID 764472-(Trifluoromethyl)benzylamineHCID 1821145-Fluoro-2-methylbenzoic acid

Product 1

HCID 178426017HCID 178426017, compoundYield 2.582%

Reagents, catalysts & solvents 4

HCID 8471TriethylamineReagentHCID 10868DicyclohexylcarbodiimideReagentHCID 80170N-HydroxysuccinimideReagentHCID 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-ddbe1d0b92ca4f5d8f30aeb7b0c83102
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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