Ethanol → Methanesulfonic Acid
반응식
[CH3:1][c:2]1[c:3]([NH:24][c:25]2[n:26][cH:27][cH:28][c:29](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1.[CH3:37][S:38]([OH:39])(=[O:40])=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][OH:50]>>[CH3:1][c:2]1[c:3]([NH:24][c:25]2[n:26][cH:27][cH:28][c:29](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1.[CH3:37][S:38](=[O:39])(=[O:40])[OH:41]참가 물질
6
출처 및 근거
- ORD 기록
- ord-b6d8a542362d4c10b3cef5a420a5a178
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)