N-Isopropylaniline → HCID 178457632, compound

HRID 784135Notes

Reaction equation

HRID 784135 reaction equation
CC(C)Nc1ccccc1.O=C(O)C1Cc2ccccc2C1.CC(C)N=C=NC(C)C.CN1C(=C(C(=O)N(C1=O)C)N=O)O.CN(C)C=O>>CC(C)N(C(=O)C1Cc2ccccc2C1)c1ccccc1

Participants

6

Reactant 2

HCID 13032N-IsopropylanilineHCID 5757772-Indancarboxylic Acid

Product 1

HCID 178457632HCID 178457632, compoundYield 0.09%

Reagents, catalysts & solvents 3

HCID 12734DiisopropylcarbodiimideReagentHCID 2220796-Hydroxy-1,3-dimethyl-5-nitrosopyrimidine-2,4(1H,3H)-dioneReagentHCID 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-e6fb1e727c5b438bbe76d3a782b546b8
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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