Hexane → 1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol

반응식

[C:34]([O:35][CH2:36][CH3:37])(=[O:38])[CH3:39].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:25]([CH3:26])[CH3:27])[c:7]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[c:8](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:25]([CH3:26])[CH3:27])[c:7]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[c:8](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:9]1[CH:10]([OH:11])[CH3:28]

참가 물질

반응물 3

HCID 8058Hexane

HCID 8857Ethyl Acetate

HCID 220050152,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine

생성물 1

HCID 220049881-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol

출처 및 근거

ORD 기록: ord-47efd89742b64ed29d14394edb1eec6d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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