Hydrochloric Acid → Trans-1-{4-[2-[4-(indan-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-3,3-dimethyl-urea
반응식
[CH2:3]1[CH2:4][CH2:5][c:6]2[c:7]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][CH:20]4[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]4)[CH2:16][CH2:17]3)[cH:8][cH:9][cH:10][c:11]21.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][N:35]([C:36](=[O:37])[Cl:38])[CH3:39].[Cl:40][CH2:41][Cl:42].[ClH:1].[ClH:2]>>[CH2:3]1[CH2:4][CH2:5][c:6]2[c:7]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][CH:20]4[CH2:21][CH2:22][CH:23]([NH:26][C:36]([N:35]([CH3:34])[CH3:39])=[O:37])[CH2:24][CH2:25]4)[CH2:16][CH2:17]3)[cH:8][cH:9][cH:10][c:11]21참가 물질
6
출처 및 근거
- ORD 기록
- ord-0d8ce0f565654f0691ce0dfd90b457e0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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