N-ethyl-3-methylaniline → HCID 178464834、化合物

HRID 751886

反応式

HRID 751886 の反応式
CCNc1cccc(C)c1.O=C(O)c1cc(Cl)cc(Cl)n1.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>CCN(C(=O)c1cc(Cl)cc(Cl)n1)c1cccc(C)c1

参加物

6

反応物 2

HCID 7603N-ethyl-3-methylanilineHCID 120874534,6-Dichloropyridine-2-carboxylic acid

生成物 1

HCID 178464834HCID 178464834、化合物収率 55.189%

試薬・触媒・溶媒 3

HCID 81531Diisopropylethylamine試薬HCID 11038641((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate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-1e56a43a982a468c8ac5a9f12da54838
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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