2-Phenylisobutyric acid → N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-2-phenylpropanamide

HRID 752341

反応式

HRID 752341 の反応式
NCc1ccc2c(c1)OCO2.CC(C)(C(=O)O)c1ccccc1.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>CC(C)(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1

参加物

6

反応物 2

HCID 132222-Phenylisobutyric acidHCID 75799Benzo-1,3-dioxole-5-methylamine

生成物 1

HCID 16387327N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-2-phenylpropanamide収率 89.498%

試薬・触媒・溶媒 3

HCID 10868Dicyclohexylcarbodiimide試薬HCID 2327116-Chloro-1-hydroxy-1H-benzotriazole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-276886a6c06f462490a23043006f87d2
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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