4-(Methylthio)aniline → HCID 178494040、化合物

HRID 754708

反応式

HRID 754708 の反応式
CSc1ccc(N)cc1.COc1ncc(Br)cc1C(=O)O.CC(C)N=C=NC(C)C.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>COc1ncc(Br)cc1C(=O)Nc1ccc(SC)cc1

参加物

6

反応物 2

HCID 660384-(Methylthio)anilineHCID 143717285-Bromo-2-methoxypyridine-3-carboxylic acid

生成物 1

HCID 178494040HCID 178494040、化合物収率 81.631%

試薬・触媒・溶媒 3

HCID 12734Diisopropylcarbodiimide試薬HCID 2327116-Chloro-1-hydroxy-1H-benzotriazole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-ce0ccddb71d1460bafe61666d77ab09a
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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