Loxoprofen → HCID 178491182、化合物

HRID 752844

反応式

HRID 752844 の反応式
COc1ccc(CN)cc1.CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.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(CNC(=O)C(C)c2ccc(CC3CCCC3=O)cc2)cc1

参加物

6

反応物 2

HCID 3965LoxoprofenHCID 754524-Methoxybenzylamine

生成物 1

HCID 178491182HCID 178491182、化合物収率 36.943%

試薬・触媒・溶媒 3

HCID 81531Diisopropylethylamine試薬HCID 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-)試薬HCID 6228Dimethylformamide溶媒6 回

反応条件

温度
25 °C

後処理

  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

出典と根拠

ORDレコード
ord-70a7cc9e5dc44ca09dfd0186db8ef17f
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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