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

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:18][CH2:19][CH:20]=[O:21])[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[F:22][c:23]1[c:24]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:25][cH:26][cH:27][cH:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:18][CH2:19][CH2:20][N:32]2[CH2:31][CH2:30][N:29]([c:24]3[c:23]([F:22])[cH:28][cH:27][cH:26][cH:25]3)[CH2:34][CH2:33]2)[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1

참가 물질

반응물 3

HCID 705291-(2-Fluorophenyl)piperazine

HCID 81531Diisopropylethylamine

HCID 866399193-(1-tert-butyl-5-(4-methoxyphenyl)-1H-pyrazol-3-yl)propanal

생성물 1

HCID 250658751-(3-(1-tert-butyl-5-(4-methoxyphenyl)-1H-pyrazol-3-yl)propyl)-4-(2-fluorophenyl)piperazine

출처 및 근거

ORD 기록: ord-d5e86fd4f5ce4f538271f9b3aa424749
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…