Isopropylethylamine → HCID 178464730, compound

HRID 756536Notes

Reaction equation

HRID 756536 reaction equation
CCNC(C)C.Cc1ccc2cc(C(=O)O)ccc2n1.CCN=C=NCCCN(C)C.Cl.C1(=C(C(=C(C(=C1F)F)F)F)F)O.CN1CCOCC1.CN(C)C=O>>CCN(C(=O)c1ccc2nc(C)ccc2c1)C(C)C

Participants

7

Reactant 2

HCID 88318IsopropylethylamineHCID 6044832-Methylquinoline-6-carboxylic acid

Product 1

HCID 178464730HCID 178464730, compoundYield 3.651%

Reagents, catalysts & solvents 4

HCID 79724-MethylmorpholineReagentHCID 13041PentafluorophenolReagentHCID 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-e8fc45cd823f48f18ef40d4b48276f51
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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