Ethanol → HCID 178489428, 화합물
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[CH3:47][CH2:48][OH:49].[Na+:2].[OH-:1].[OH2:3].[c:4]1([C:10]2([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:11][CH2:12][C:13]([OH:32])([c:33]3[c:34]([O:39][CH3:40])[cH:35][cH:36][cH:37][cH:38]3)[CH:14]3[CH2:15][N:16]([C:19]([CH:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[O:27][C:28](=[O:29])[CH3:30])=[O:31])[CH2:17][CH:18]23)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[c:4]1([C:10]2([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:11][CH2:12][C:13]([OH:32])([c:33]3[c:34]([O:39][CH3:40])[cH:35][cH:36][cH:37][cH:38]3)[CH:14]3[CH2:15][N:16]([C:19]([CH:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[OH:27])=[O:31])[CH2:17][CH:18]23)[cH:5][cH:6][cH:7][cH:8][cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-cc2debd11e2e422291e6ace97c89f4f0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)