1-(4-Fluorophenyl)cyclohexane-1-carboxylic acid → 1-(4-fluorophenyl)-N-(3-{4-[3-(isobutyrylamino)phenyl]-1-piperidinyl}propyl)cyclohexanecarboxamide

반응식

[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:15])[OH:16])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[NH2:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][CH:24]([c:27]2[cH:28][c:29]([NH:33][C:34]([CH:35]([CH3:36])[CH3:37])=[O:38])[cH:30][cH:31][cH:32]2)[CH2:25][CH2:26]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:16])[NH:17][CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([c:27]4[cH:28][c:29]([NH:33][C:34]([CH:35]([CH3:36])[CH3:37])=[O:38])[cH:30][cH:31][cH:32]4)[CH2:25][CH2:26]3)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 7361361-(4-Fluorophenyl)cyclohexane-1-carboxylic acid

HCID 16757470N-{3-[1-(3-aminopropyl)-4-piperidinyl]phenyl}2-methylpropanamide

생성물 1

HCID 100292481-(4-fluorophenyl)-N-(3-{4-[3-(isobutyrylamino)phenyl]-1-piperidinyl}propyl)cyclohexanecarboxamide

출처 및 근거

ORD 기록: ord-3a11d35afa4f497c93265e2fe1c906c0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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