2-[4-(4-Methoxyphenyl)piperazin-1-yl]ethanamine → 5-(4-Cyclohexyl phenyl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethyl-1-phenyl pyrazole

반응식

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

참가 물질

반응물 2

HCID 12561082-[4-(4-Methoxyphenyl)piperazin-1-yl]ethanamine

HCID 862611315-(4-Cyclohexylphenyl)-1-phenylpyrazole-3-carbaldehyde

생성물 1

HCID 160387075-(4-Cyclohexyl phenyl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethyl-1-phenyl pyrazole

출처 및 근거

ORD 기록: ord-20d5915497f04503a459b6b0e3f96cc7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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