Ethanol → HCID 22144526, 화합물
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[Br:1][CH2:2][c:3]1[cH:4][c:5]([O:20][CH3:21])[cH:6][c:7]2[c:8]1[n:9][c:10](-[c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[s:11]2.[CH3:25][CH2:26][OH:27].[K:22][C:23]#[N:24].[OH2:28]>>[CH2:2]([c:3]1[cH:4][c:5]([O:20][CH3:21])[cH:6][c:7]2[c:8]1[n:9][c:10](-[c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[s:11]2)[C:23]#[N:24]참가 물질
5
출처 및 근거
- ORD 기록
- ord-516f7e2c47b6488589c1e378b568b05e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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