Hydrochloric Acid → (4-Benzylamino-phenyl)-piperidin-1-yl-methanone
반응식
[CH2:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]1.[CH2:25]([N:26]=[C:27]=[N:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[CH3:35].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[ClH:24].[OH2:36].[OH2:57].[OH:37][c:38]1[c:39]2[n:40][n:41][nH:42][c:43]2[cH:44][cH:45][cH:46]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:15])[N:21]2[CH2:20][CH2:19][CH2:18][CH2:23][CH2:22]2)[cH:16][cH:17]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-134a852800d5462baa2e0f08f716ff0d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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