5-Methyl-1,2-oxazole-3-carbaldehyde → 6-Cyclopentyl-6-[2-(3-fluoro 4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(5-methyl-isoxazol-3-ylmethyl)-5,6-dihydro-pyran-2-one

반응식

[CH3:27][c:28]1[cH:29][c:30]([CH:33]=[O:34])[n:31][o:32]1.[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[CH2:7][C:8](=[O:13])[CH2:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[C:9]([CH2:33][c:30]3[cH:29][c:28]([CH3:27])[o:32][n:31]3)[C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

반응물 2

HCID 27952225-Methyl-1,2-oxazole-3-carbaldehyde

HCID 160761116-(3-fluoro-4-isopropoxyphenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dione

생성물 1

HCID 587627456-Cyclopentyl-6-[2-(3-fluoro 4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(5-methyl-isoxazol-3-ylmethyl)-5,6-dihydro-pyran-2-one

출처 및 근거

ORD 기록: ord-6f62496f15d34cf6b263b2aae0e78f73
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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