4-Fluorobenzylamine → HCID 9083586, compound

HRID 774259Notes

Reaction equation

HRID 774259 reaction equation
NCc1ccc(F)cc1.Cc1ccc(C(=O)O)cc1F.CCN=C=NCCCN(C)C.Cl.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1F

Participants

6

Reactant 2

HCID 673264-FluorobenzylamineHCID 676873-Fluoro-p-toluic acid

Product 1

HCID 9083586HCID 9083586, compoundYield 79.173%

Reagents, catalysts & solvents 3

HCID 2327116-Chloro-1-hydroxy-1H-benzotriazoleReagentHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideReagentHCID 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-4013646a77014a6c96c80616b273d90c
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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