Methanol → HCID 178430551, 화합물
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[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][c:13]2[n:14][cH:15][n:16]([S:18]([c:19]3[cH:20][cH:21][c:22]([CH3:23])[cH:24][cH:25]3)(=[O:26])=[O:27])[cH:17]2)[CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[C:35]([CH3:36])([CH3:37])[c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:55][OH:56].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][c:13]2[n:14][cH:15][nH:16][cH:17]2)[CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[C:35]([CH3:36])([CH3:37])[c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-7d0d1ff3919e4a9ab246afda9b4ad73c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)