Hydrochloric Acid → Hydrochloric Acid
반응식
[C:1]([N:5]([C:2](=[O:3])[O-:4])[CH:9]1[CH2:10][CH2:11][c:12]2[c:13](-[c:18]3[s:19][c:20](-[c:23]4[cH:24][c:25]([C:33]#[N:34])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:21][n:22]3)[cH:14][cH:15][cH:16][c:17]21)([CH3:6])([CH3:7])[CH3:8].[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[ClH:35]>>[ClH:35].[NH2:5][CH:9]1[CH2:10][CH2:11][c:12]2[c:13](-[c:18]3[s:19][c:20](-[c:23]4[cH:24][c:25]([C:33]#[N:34])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:21][n:22]3)[cH:14][cH:15][cH:16][c:17]21참가 물질
6
출처 및 근거
- ORD 기록
- ord-b6b161e77c56476daeea0cec5e5d0d4b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)