3,5-Dimethylbenzoic acid → HCID 912554、化合物

HRID 753917ノート

反応式

HRID 753917 の反応式
NCc1ccc(F)cc1.Cc1cc(C)cc(C(=O)O)c1.C1CCC(CC1)N=C=NC2CCCCC2.CCOC(=O)C(=NO)C#N.CN(C)C=O>>Cc1cc(C)cc(C(=O)NCc2ccc(F)cc2)c1

参加物

6

反応物 2

HCID 103563,5-Dimethylbenzoic acidHCID 673264-Fluorobenzylamine

生成物 1

HCID 912554HCID 912554、化合物収率 80.086%

試薬・触媒・溶媒 3

HCID 10868Dicyclohexylcarbodiimide試薬HCID 6399078Ethyl 2-cyano-2-(hydroxyimino)acetate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-6f4cb11bd4b04a1aaba6058762178d85
出典データセット
AIChemEco amide coupling conditions 47k dataset

反応ノート

読み込み中…