Hexane → 2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(2-phenylethyl)pyridine

반응식

[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH:19]=[CH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[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:27]([CH3:28])[CH3:29])[c:7]([CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[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]

참가 물질

반응물 3

HCID 8058Hexane

HCID 8857Ethyl Acetate

HCID 54463663[4-(4-Fluorophenyl)-5-(2-phenylethenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

생성물 1

HCID 220049912,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(2-phenylethyl)pyridine

출처 및 근거

ORD 기록: ord-9e7b4ae7b779465598b8601dd1010db9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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