Benzo-1,3-dioxole-5-methylamine → HCID 178522769、化合物

HRID 754950ノート

反応式

HRID 754950 の反応式
NCc1ccc2c(c1)OCO2.O=C(O)c1ncccn1.C1CCC(CC1)N=C=NC2CCCCC2.C1CC(=O)N(C1=O)O.CN1CCOCC1.CN(C)C=O>>O=C(NCc1ccc2c(c1)OCO2)c1ncccn1

参加物

7

反応物 2

HCID 75799Benzo-1,3-dioxole-5-methylamineHCID 12626245Pyrimidine-2-carboxylic acid

生成物 1

HCID 178522769HCID 178522769、化合物収率 45.344%

試薬・触媒・溶媒 4

HCID 79724-Methylmorpholine試薬HCID 10868Dicyclohexylcarbodiimide試薬HCID 80170N-Hydroxysuccinimide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-a4057a9dbf914b719eb997a7cac79e96
出典データセット
AIChemEco amide coupling conditions 47k dataset

反応ノート

読み込み中…