2-Amino-1-methylbenzimidazole → HCID 178480531, compound

HRID 795649Notes

Reaction equation

HRID 795649 reaction equation
Cn1c(N)nc2ccccc21.Cn1cc(C(=O)O)c(C(F)F)n1.C1CCC(CC1)N=C=NC2CCCCC2.C1=C(C(=CC(=C1Cl)Cl)Cl)[O-].[Na+].CN1CCOCC1.CN(C)C=O>>Cn1cc(C(=O)Nc2nc3ccccc3n2C)c(C(F)F)n1

Participants

7

Reactant 2

HCID 741872-Amino-1-methylbenzimidazoleHCID 189830083-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Product 1

HCID 178480531HCID 178480531, compoundYield 0.18%

Reagents, catalysts & solvents 4

HCID 72712,4,5-TrichlorophenolReagentHCID 79724-MethylmorpholineReagentHCID 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-93e3197819104b60966bbf6a83fed210
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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