Methyl Nicotinate → [2,2-Dimethyl-3-(3-oxo-3-pyridin-3-yl-propionyl)cyclobutyl]acetic acid tert-butyl ester

HRID 175285

반응식

[C:18]([c:19]1[cH:20][n:21][cH:22][cH:23][cH:24]1)(=[O:25])[O:26][CH3:27].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]1[C:9]([CH3:15])([CH3:16])[CH:10]([C:12]([CH3:13])=[O:14])[CH2:11]1)=[O:17].[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]1[C:9]([CH3:15])([CH3:16])[CH:10]([C:12]([CH2:13][C:18]([c:19]2[cH:20][n:21][cH:22][cH:23][cH:24]2)=[O:25])=[O:14])[CH2:11]1)=[O:17]

참가 물질

반응물 3

HCID 7151Methyl Nicotinate

HCID 8028Tetrahydrofuran

HCID 206090683-Acetyl-2,2-dimethylcyclobutylacetic acid tert-butyl ester

생성물 1

HCID 20609066[2,2-Dimethyl-3-(3-oxo-3-pyridin-3-yl-propionyl)cyclobutyl]acetic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-47d71e84196f4b5f974d1f03eae137f1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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