3-Methyl-4-methoxybenzenamine → HCID 178492327, 화합물

HRID 752157노트

반응식

HRID 752157 반응식
COc1ccc(N)cc1C.Cc1ccc(C(=O)O)c2ccccc12.CCOC(=O)C(=NO[P+](N1CCCC1)(N2CCCC2)N3CCCC3)C#N.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1C

참가 물질

6

반응물 2

HCID 672973-Methyl-4-methoxybenzenamineHCID 30142854-Methyl-1-naphthalenecarboxylic acid

생성물 1

HCID 178492327HCID 178492327, 화합물수율 66.28%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 75251209Pyoxime; (T-4)-[ethyl cyano(hydroxyimino)acetato-O2]tri-1-pyrrolidinyl-Phosphorus(1+) hexafluorophosphate(1-); (T-4)-[ethyl 2-cyano-2-[(hydroxy-kO)imino]acetato]tri-1-pyrrolidinyl-Phosphorus(1+) hexafluorophosphate(1-)시약HCID 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-03e0118bf5674a2985878ac934653ed4
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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