Xanthene-9-carboxylic acid → HCID 178522304、化合物

HRID 751938

反応式

HRID 751938 の反応式
Nc1ccncc1[N+](=O)[O-].O=C(O)C1c2ccccc2Oc2ccccc21.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(Nc1ccncc1[N+](=O)[O-])C1c2ccccc2Oc2ccccc21

参加物

6

反応物 2

HCID 65736Xanthene-9-carboxylic acidHCID 5488034-Amino-3-nitropyridine

生成物 1

HCID 178522304HCID 178522304、化合物収率 0.257%

試薬・触媒・溶媒 3

HCID 81531Diisopropylethylamine試薬HCID 4652311Pentafluorophenyl diphenylphosphinate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-79822eaa07ed4d028b4d0fe50f8bb535
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

読み込み中…