7-Diethylaminoheptylamine → N-[7-(Diethylamino)heptyl]-4-(3-methylphenyl)-5-phenyl-1H-pyrazole-1-acetamide

반응식

[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][NH2:11])[CH2:12][CH3:13].[CH3:14][c:15]1[cH:16][c:17](-[c:21]2[cH:22][n:23][n:24]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[c:25]2-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:18][cH:19][cH:20]1.[CH3:38][c:39]1[cH:40][c:41]([CH2:42][C:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:50])[cH:51][cH:52][cH:53]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][NH:11][C:33]([CH2:32][n:24]1[n:23][cH:22][c:21](-[c:17]2[cH:16][c:15]([CH3:14])[cH:20][cH:19][cH:18]2)[c:25]1-[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:34])[CH2:12][CH3:13]

참가 물질

반응물 3

HCID 37094117-Diethylaminoheptylamine

HCID 131736142-(3-Methylphenyl)acetophenone

HCID 54470792ethyl 4-(3-methylphenyl)-5-phenyl-1H-pyrazole-1-acetate

생성물 1

HCID 20073311N-[7-(Diethylamino)heptyl]-4-(3-methylphenyl)-5-phenyl-1H-pyrazole-1-acetamide

출처 및 근거

ORD 기록: ord-022eadcb339b4ff087fc6ce93b91f1b7
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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