Ethanol → HCID 178458686, 화합물
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[BH4-:40].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8]([C:16](=[O:17])[N:18]([CH:19]2[CH2:20][N:21]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:22][CH:23]([C:25]([CH2:26][CH3:27])=[O:28])[CH2:24]2)[CH2:36][CH:37]([CH3:38])[CH3:39])[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[CH3:42][CH2:43][OH:44].[Na+:41]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8]([C:16](=[O:17])[N:18]([CH:19]2[CH2:20][N:21]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:22][CH:23]([CH:25]([CH2:26][CH3:27])[OH:28])[CH2:24]2)[CH2:36][CH:37]([CH3:38])[CH3:39])[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-5c3b5a2262a042a9b46d7441581787d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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