N,N-Diethyl-1,3-propanediamine → N-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-1-acetamide

반응식

[CH2:26]([CH3:27])[N:28]([CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][NH2:34].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11][n:12]([CH2:20][C:21]([O:23][CH2:22][CH3:24])=[O:25])[c:13]2-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:7][cH:8]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11][n:12]([CH2:20][C:21](=[O:23])[NH:34][CH2:33][CH2:32][CH2:31][N:28]([CH2:26][CH3:27])[CH2:29][CH3:30])[c:13]2-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:7][cH:8]1

참가 물질

반응물 2

HCID 61011N,N-Diethyl-1,3-propanediamine

HCID 14699555Ethyl 4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-1-acetate

생성물 1

HCID 14699593N-[3-(diethylamino)propyl]-4-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-1-acetamide

출처 및 근거

ORD 기록: ord-595bfaabc5eb428d8f3fc011a19b4d80
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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