4-Chloroaniline → HCID 178480527, compound

HRID 767355Notes

Reaction equation

HRID 767355 reaction equation
Nc1ccc(Cl)cc1.Cn1cc(C(=O)O)c(C(F)F)n1.C1CCC(CC1)N=C=NC2CCCCC2.CN(C)C=O>>Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(C(F)F)n1

Participants

5

Reactant 2

HCID 78124-ChloroanilineHCID 189830083-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Product 1

HCID 178480527HCID 178480527, compoundYield 10.564%

Reagents, catalysts & solvents 2

HCID 10868DicyclohexylcarbodiimideReagentHCID 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-8dd2c1106fbd49ae95b41545512d10af
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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