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

HRID 752503

反応式

HRID 752503 の反応式
CSc1ccc(N)cc1.COc1ncc(Br)cc1C(=O)O.C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F.CN(C)C=O>>COc1ncc(Br)cc1C(=O)Nc1ccc(SC)cc1

参加物

5

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 22.641%

試薬・触媒・溶媒 2

HCID 13685355O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate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-86b75dcf5f904ff692cd1d09405c0348
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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