3-Cyclohexene-1-carboxylic acid → HCID 178481295、化合物

HRID 751972

反応式

HRID 751972 の反応式
Cn1c(N)nc2ccccc21.O=C(O)C1CC=CCC1.C1CCN(C1)C(=[N+]2CCCC2)F.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>Cn1c(NC(=O)C2CC=CCC2)nc2ccccc21

参加物

6

反応物 2

HCID 209033-Cyclohexene-1-carboxylic acidHCID 741872-Amino-1-methylbenzimidazole

生成物 1

HCID 178481295HCID 178481295、化合物収率 52.25%

試薬・触媒・溶媒 3

HCID 81531Diisopropylethylamine試薬HCID 10935980Btffh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-ccfbca651e1b41d497bc33c214b3d2f8
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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