2-Chloro-4-methylphenol → N-(3-{1-[3-(4-Bromophenyl)-3-(2-chloro-4-methylphenoxy)propyl]-4-piperidinyl}phenyl)-2-methylpropanamide

반응식

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

참가 물질

반응물 2

HCID 148512-Chloro-4-methylphenol

HCID 22048618N-(3-{1-[3-(4-bromophenyl)-3-hydroxypropyl]-4-piperidinyl}phenyl)-2-methylpropanamide

생성물 1

HCID 22048994N-(3-{1-[3-(4-Bromophenyl)-3-(2-chloro-4-methylphenoxy)propyl]-4-piperidinyl}phenyl)-2-methylpropanamide

출처 및 근거

ORD 기록: ord-a19f37c536a44141bcc4d78f5e85e31a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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