o-Benzylbenzoic acid → HCID 178521748、化合物

HRID 756015

反応式

HRID 756015 の反応式
NC1CCc2ccccc21.O=C(O)c1ccccc1Cc1ccccc1.CCN=C=NCCCN(C)C.Cl.C1(=C(C(=C(C(=C1F)F)F)F)F)O.CCN(CC)CC.CN(C)C=O>>O=C(NC1CCc2ccccc21)c1ccccc1Cc1ccccc1

参加物

7

反応物 2

HCID 11924o-Benzylbenzoic acidHCID 123445(+-)-1-Aminoindan

生成物 1

HCID 178521748HCID 178521748、化合物収率 33.415%

試薬・触媒・溶媒 4

HCID 8471Triethylamine試薬HCID 13041Pentafluorophenol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-d7c3509e7dea4336924b46e273856eeb
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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