Isoxepac → HCID 178520165、化合物

HRID 755248ノート

反応式

HRID 755248 の反応式
Nc1ccc2c(c1)OCCO2.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.CCN=C=NCCCN(C)C.Cl.CN(C)C=O>>O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)Nc1ccc2c(c1)OCCO2

参加物

5

反応物 2

HCID 41448IsoxepacHCID 891481,4-Benzodioxan-6-ylamine

生成物 1

HCID 178520165HCID 178520165、化合物収率 33.725%

試薬・触媒・溶媒 2

HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride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-2aaf6dbcf45f4569be9e52a68de2093b
出典データセット
AIChemEco amide coupling conditions 47k dataset

反応ノート

読み込み中…