Ethanol → HCID 68452710, 화합물
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[Br:1][c:2]1[n:3][n:4][c:5]([NH2:7])[s:6]1.[Br:8][c:9]1[c:10]([O:11][CH:12]2[CH2:13][NH:14][CH2:15][CH2:16]2)[cH:17][c:18]([F:21])[cH:19][cH:20]1.[CH3:28][CH2:29][OH:30].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27]>>[c:2]1([N:14]2[CH2:13][CH:12]([O:11][c:10]3[c:9]([Br:8])[cH:20][cH:19][c:18]([F:21])[cH:17]3)[CH2:16][CH2:15]2)[n:3][n:4][c:5]([NH2:7])[s:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-aaad53aa3ef54b31a678558c5894cdf6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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