(+-)-Anabasine → 3-(1-{[5-(4-Methylphenyl)isoxazol-4-yl]carbonyl}piperidin-2-yl)pyridine

반응식

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

참가 물질

반응물 3

HCID 2181(+-)-Anabasine

HCID 6344Dichloromethane

HCID 729429065-(P-tolyl)isoxazole-4-carbonyl chloride

생성물 1

HCID 591701333-(1-{[5-(4-Methylphenyl)isoxazol-4-yl]carbonyl}piperidin-2-yl)pyridine

출처 및 근거

ORD 기록: ord-10759adaeb2941ebba85e069345a11cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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