Dimethyl Sulfoxide → N-[4-(2-methyl-2H-tetrazol-5-yl)phenylmethyl]-4-[bis(4-trifluoromethoxyphenyl)hydroxymethyl]piperidine
반응식
[CH3:1][n:2]1[n:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([CH2:13][Br:14])[cH:11][cH:12]2)[n:5][n:6]1.[CH3:45][S:46](=[O:47])[CH3:48].[F:15][C:16]([O:17][c:18]1[cH:19][cH:20][c:21]([C:24]([CH:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)([OH:31])[c:32]2[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]2)[cH:22][cH:23]1)([F:43])[F:44]>>[CH3:1][n:2]1[n:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([CH2:13][N:28]3[CH2:27][CH2:26][CH:25]([C:24]([c:21]4[cH:20][cH:19][c:18]([O:17][C:16]([F:15])([F:43])[F:44])[cH:23][cH:22]4)([OH:31])[c:32]4[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]4)[CH2:30][CH2:29]3)[cH:11][cH:12]2)[n:5][n:6]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-63511b2727384c21a6d823a6b467e136
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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