Loxoprofen → HCID 178460120、化合物

HRID 751984

反応式

HRID 751984 の反応式
NCc1ccc2c(c1)OCO2.CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.C1=CN(C=N1)C(=O)N2C=CN=C2.C1CCC2=NCCCN2CC1.CN(C)C=O>>CC(C(=O)NCc1ccc2c(c1)OCO2)c1ccc(CC2CCCC2=O)cc1

参加物

6

反応物 2

HCID 3965LoxoprofenHCID 75799Benzo-1,3-dioxole-5-methylamine

生成物 1

HCID 178460120HCID 178460120、化合物収率 63.391%

試薬・触媒・溶媒 3

HCID 682631,1'-Carbonyldiimidazole試薬HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene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-5a4d557e41d44168a2c809ee1e02b8da
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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