Phenacyl bromide → HCID 178444626、化合物

HRID 1812467

反応式

HRID 1812467 の反応式
C#CCCCCC=O.c1ccc(C(=O)CBr)cc1>O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3].CN(C)C=O.Cc1cccc(C)n1>C#CCCC[C@@H](C=O)CC(=O)c1ccccc1.C#CCCC[C@H](C=O)CC(=O)c1ccccc1

参加物

8

反応物 3

HCID 6259Phenacyl bromideHCID 79372,6-LutidineHCID 11355455Hept-6-ynal

生成物 2

HCID 178444626HCID 178444626、化合物HCID 178444627HCID 178444627、化合物

試薬・触媒・溶媒 3

HCID 74084522-Carboxyoctahydroindole, (2S,3aS,7aS)-触媒HCID 54589530Iridium(3+);2-phenylpyridine;2-pyridin-2-ylpyridine;hexafluorophosphate触媒HCID 6228Dimethylformamide溶媒5 回

反応条件

温度
22 °C

後処理

  1. aliquot4 uL mixture of each reacted solution was collected and diluted with 36 uL ACN
  2. addition4 uL mixture of each reacted solution was collected and diluted with 36 uL ACN
  3. additionchiral resolving regent (150 mM in DCM, 40 uL)
  4. additionCuI with DIPEA (400 mM in ACN) 40 uL
  5. additioninternal standard 1-phenylprop-2-yn-1-ol (4) (25 mM in ACN) 40 uL
  6. stirring手順は記録されていません
  7. aliquotAfter the reaction, 10 uL of supernatant for each reaction was transferred to another 96-well plate
  8. additionAfter the reaction, 10 uL of supernatant for each reaction was transferred to another 96-well plate and diluted with 190 uL ACN before the IM-MS analysis

出典と根拠

ORDレコード
ord-b9928ef2270d41c48b71ae796e118603
出典データセット
Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

関連ノート

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