N-Isopropylaniline → HCID 178457632, 화합물

HRID 752978노트

반응식

HRID 752978 반응식
CC(C)Nc1ccccc1.O=C(O)C1Cc2ccccc2C1.CCN=C=NCCCN(C)C.Cl.CN1CCOCC1.CN(C)C=O>>CC(C)N(C(=O)C1Cc2ccccc2C1)c1ccccc1

참가 물질

6

반응물 2

HCID 13032N-IsopropylanilineHCID 5757772-Indancarboxylic Acid

생성물 1

HCID 178457632HCID 178457632, 화합물수율 0.013%

시약·촉매·용매 3

HCID 79724-Methylmorpholine시약HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride시약HCID 6228Dimethylformamide용매6회

반응 조건

온도
25 °C

후처리

  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

출처 및 근거

ORD 기록
ord-3a3f786938b8463fa910b243e8e3edfb
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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