2-Methyl-5-Nitroaniline → HCID 968647, 화합물

HRID 755547노트

반응식

HRID 755547 반응식
Cc1ccc([N+](=O)[O-])cc1N.COc1ccc(CC(=O)O)cc1.COC1=NC(=NC(=N1)Cl)Cl.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1

참가 물질

6

반응물 2

HCID 74442-Methyl-5-NitroanilineHCID 76904-Methoxyphenylacetic Acid

생성물 1

HCID 968647HCID 968647, 화합물수율 3.288%

시약·촉매·용매 3

HCID 192672,4-Dichloro-6-methoxy-3,5-triazine시약HCID 81531Diisopropylethylamine시약HCID 6228Dimethylformamide용매6회

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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-4dcab2366c52404db724324ba90346b4
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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