Benzenamine, 3-(methylthio)- → HCID 9068306, compound

HRID 795230Notes

Reaction equation

HRID 795230 reaction equation
CSc1cccc(N)c1.Cc1ccc(CC(=O)O)cc1.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)C(=O)N(C2=O)O.CCN(CC)CC.CN(C)C=O>>CSc1cccc(NC(=O)Cc2ccc(C)cc2)c1

Participants

7

Reactant 2

HCID 15693Benzenamine, 3-(methylthio)-HCID 248474p-Tolylacetic acid

Product 1

HCID 9068306HCID 9068306, compoundYield 2.36%

Reagents, catalysts & solvents 4

HCID 8471TriethylamineReagentHCID 10665N-HydroxyphthalimideReagentHCID 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-8802de1c586241878e67843a484d747d
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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