Methane → HCID 178476136, 화합물
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[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:49]([CH3:50])[CH3:51])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[C:59].[CH3:52][OH:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[Pd:60]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:49]([CH3:50])[CH3:51])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][OH:41])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]참가 물질
6
출처 및 근거
- ORD 기록
- ord-abc1593f15fd47e390b8af4a9ab14e52
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)