Methanol → HCID 13389167, 화합물
반응식
[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH2:34][CH2:35][CH3:36])[c:8]([O:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[c:21]([CH2:31][CH2:32][CH3:33])[c:22]([OH:30])[c:23]([C:27]([CH3:28])=[O:29])[cH:24][c:25]2[Br:26])[c:9]([C:12]([CH3:13])=[O:14])[cH:10][cH:11]1)=[O:37].[CH3:40][OH:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Na+:39].[OH-:38]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH2:34][CH2:35][CH3:36])[c:8]([O:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[c:21]([CH2:31][CH2:32][CH3:33])[c:22]([OH:30])[c:23]([C:27]([CH3:28])=[O:29])[cH:24][c:25]2[Br:26])[c:9]([C:12]([CH3:13])=[O:14])[cH:10][cH:11]1)[OH:37]참가 물질
6
출처 및 근거
- ORD 기록
- ord-18e79756487e43529edcc2a86e3b7900
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)