Methanol → HCID 178493497, 화합물
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[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([F:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[CH3:3].[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:28][OH:29].[CH3:35][N:36]([CH2:37][c:38]1[n:39][c:40]([N+:43]([O-:44])=[O:45])[nH:41][cH:42]1)[CH3:46].[CH3:47][OH:48]>>[C:4](=[O:5])([c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([F:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[NH:43][c:40]1[n:39][c:38]([CH2:37][N:36]([CH3:35])[CH3:46])[cH:42][nH:41]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-fc03ba6d01724c1997375e81dea5ec27
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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