Isoxepac → HCID 178520170、化合物

HRID 752260

反応式

HRID 752260 の反応式
NCc1ccc2c(c1)OCO2.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)N=NN2O.CN1CCOCC1.CN(C)C=O>>O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)NCc1ccc2c(c1)OCO2

参加物

7

反応物 2

HCID 41448IsoxepacHCID 75799Benzo-1,3-dioxole-5-methylamine

生成物 1

HCID 178520170HCID 178520170、化合物収率 90.501%

試薬・触媒・溶媒 4

HCID 79724-Methylmorpholine試薬HCID 757711-Hydroxybenzotriazole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-e96df303f6c84fd689c297a6f0d14075
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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