1-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acid → 1-(2-chloro-4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-methylphenyl]-1-piperidinyl}propyl)cyclohexanecarboxamide

HRID 289376

반응식

HRID 289376 반응식
[Cl:1][c:2]1[c:3]([C:9]2([C:15](=[O:16])[OH:17])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH2:18][CH2:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH:25]([c:28]2[cH:29][c:30]([NH:35][C:36]([CH:37]([CH3:38])[CH3:39])=[O:40])[cH:31][cH:32][c:33]2[CH3:34])[CH2:26][CH2:27]1>>[Cl:1][c:2]1[c:3]([C:9]2([C:15](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([c:28]4[cH:29][c:30]([NH:35][C:36]([CH:37]([CH3:38])[CH3:39])=[O:40])[cH:31][cH:32][c:33]4[CH3:34])[CH2:26][CH2:27]3)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

참가 물질

3

반응물 2

HCID 12681661-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acidHCID 16757468N-{3-[1-(aminopropyl)-4-piperidinyl]-4-methylphenyl}-2-methylpropanamide

생성물 1

HCID 219572661-(2-chloro-4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-methylphenyl]-1-piperidinyl}propyl)cyclohexanecarboxamide

출처 및 근거

ORD 기록
ord-b093f80b72e546a1bf92ddd84f56352a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…