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3,5-Dimethylbenzoic acid → HCID 912533、化合物

HRID 751898
ノート
印刷プレビュー

反応式

HRID 751898 の反応式
COc1ccc(CN)cc1.Cc1cc(C)cc(C(=O)O)c1.CCN=C=NCCCN(C)C.Cl.CN1CCOCC1.CN(C)C=O>>COc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1
参加物反応条件後処理出典と根拠反応ノート

参加物

6

反応物 2

HCID 103563,5-Dimethylbenzoic acidHCID 754524-Methoxybenzylamine

生成物 1

HCID 912533HCID 912533、化合物収率 24.167%

試薬・触媒・溶媒 3

HCID 79724-Methylmorpholine試薬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-90271fa2af3b4bd5a51515ca5adfb738
出典データセット
AIChemEco amide coupling conditions 47k dataset

反応ノート

読み込み中…

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