Hydrochloric Acid → trans-4-Chloro-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide
반응식
[ClH:1].[ClH:2].[ClH:3].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21.[OH:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([Cl:35])[cH:36][cH:37]1>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:29](=[O:28])[c:31]5[cH:32][cH:33][c:34]([Cl:35])[cH:36][cH:37]5)[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21참가 물질
4
출처 및 근거
- ORD 기록
- ord-9a04b879113c4193992471f629613f54
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)