Ethanol → HCID 178458842, 화합물
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[C:9]([CH2:10][CH3:11])(=[O:12])[C:13]1=[C:18]([OH:19])[CH2:17][CH:16]([c:20]2[c:21]([CH3:31])[c:22]([N+:28]([O-:29])=[O:30])[c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[CH2:15][C:14]1=[O:32].[CH3:35][CH2:36][OH:37].[Na+:34].[Na+:7].[Na+:8].[OH-:33].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[C:9]([CH2:10][CH3:11])(=[O:12])[C:13]1=[C:18]([OH:19])[CH2:17][CH:16]([c:20]2[c:21]([CH3:31])[c:22]([NH2:28])[c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[CH2:15][C:14]1=[O:32]참가 물질
6
출처 및 근거
- ORD 기록
- ord-ab23f34523fb43c48ed9e1d7af1b375a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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