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

HRID 87550

반응식

HRID 87550 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:17][CH2:18][CH:19]=[O:20])[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:21][c:22]1[cH:23][cH:24][c:25]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:26][cH:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:17][CH2:18][CH2:19][N:31]2[CH2:30][CH2:29][N:28]([c:25]3[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]3)[CH2:33][CH2:32]2)[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]1

참가 물질

4

반응물 3

HCID 81531DiisopropylethylamineHCID 974781-(4-Chlorophenyl)piperazineHCID 866399233-(1-tert-butyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl)propanal

생성물 1

HCID 250639891-(3-(1-tert-butyl-5-(4-fluorophenyl)-1H-pyrazol-3-yl)propyl)-4-(4-chlorophenyl)piperazine

출처 및 근거

ORD 기록
ord-97b6904da83b4b65b9fdd9538743a928
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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