Methane → 1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(2,3-dimethoxybenzyl)-piperazine
반응식
[C:46].[CH3:44][OH:45].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:24][c:25]3[c:26]([O:33][CH3:34])[c:27]([O:31][CH3:32])[cH:28][cH:29][cH:30]3)[CH2:10][N:11]([C:14]([O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)=[O:23])[CH2:12][CH2:13]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43].[Pd:47]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:24][c:25]3[c:26]([O:33][CH3:34])[c:27]([O:31][CH3:32])[cH:28][cH:29][cH:30]3)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43]참가 물질
5
출처 및 근거
- ORD 기록
- ord-eb9fca7e5a204805b2bfba091f625121
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)