1-(2-Fluorophenyl)piperazine → 1-(3-(1-tert-butyl-3-propyl-1H-pyrazol-5-yl)propyl)-4-(2-fluorophenyl)piperazine

HRID 100564

반응식

HRID 100564 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:14][CH2:15][CH3:16])[cH:8][c:9]1[CH2:10][CH2:11][CH:12]=[O:13].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[F:17][c:18]1[c:19]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:20][cH:21][cH:22][cH:23]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:14][CH2:15][CH3:16])[cH:8][c:9]1[CH2:10][CH2:11][CH2:12][N:27]1[CH2:26][CH2:25][N:24]([c:19]2[c:18]([F:17])[cH:23][cH:22][cH:21][cH:20]2)[CH2:29][CH2:28]1

참가 물질

4

반응물 3

HCID 705291-(2-Fluorophenyl)piperazineHCID 81531DiisopropylethylamineHCID 866399303-(1-tert-butyl-3-propyl-1H-pyrazol-5-yl)propanal

생성물 1

HCID 685599811-(3-(1-tert-butyl-3-propyl-1H-pyrazol-5-yl)propyl)-4-(2-fluorophenyl)piperazine

출처 및 근거

ORD 기록
ord-5de1d292549f47cf8fbc40ca963168d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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