HCID 178442189, 화합물 → N-[[2-methoxy-5-(2-methylbut-3-yn-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH:10]([NH:14][CH2:15][c:16]2[c:17]([O:27][CH3:28])[cH:18][cH:19][c:20]([C:22]([C:23]#[CH:24])([CH3:25])[CH3:26])[cH:21]2)[CH2:11][CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:35]([CH:36]([c:37]1[cH:38][cH:39][c:40]([O:41][CH3:42])[c:43]([CH2:45][NH:46][CH:47]2[CH2:48][CH2:49][CH2:50][NH:51][CH:52]2[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:44]1)[CH3:59])#[N:60]>>[NH:8]1[CH:9]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH:10]([NH:14][CH2:15][c:16]2[c:17]([O:27][CH3:28])[cH:18][cH:19][c:20]([C:22]([C:23]#[CH:24])([CH3:25])[CH3:26])[cH:21]2)[CH2:11][CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 178442189HCID 178442189, 화합물

HCID 178490143HCID 178490143, 화합물

생성물 1

HCID 10292149N-[[2-methoxy-5-(2-methylbut-3-yn-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

출처 및 근거

ORD 기록: ord-1bc598d055ac47f78acf1acf05cec066
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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