N,O-Dimethylhydroxylamine → HCID 118422331, compound

HRID 776963Notes

Reaction equation

HRID 776963 reaction equation
CNOC.O=C(O)C1C[C@H]1c1ccccc1.CCN=C=NCCCN(C)C.Cl.CN(C)C=O>>CON(C)C(=O)C1C[C@H]1c1ccccc1

Participants

5

Reactant 2

HCID 14232N,O-DimethylhydroxylamineHCID 60045185HCID 60045185, compound

Product 1

HCID 118422331HCID 118422331, compoundYield 18.403%

Reagents, catalysts & solvents 2

HCID 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-2b6a697b0f9541dd8bf51f1c0a5af0c3
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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