Ethanol → HCID 178456610, 화합물
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[Br:17][c:18]1[s:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][n:22]1.[CH2:1]([N:2]=[C:3]=[S:4])[CH:5]=[CH2:6].[CH2:7]([CH:8]=[CH2:9])[n:10]1[c:11]([OH:16])[n:12][n:13][c:14]1[SH:15].[CH3:26][CH2:27][OH:28].[OH2:29]>>[CH2:7]([CH:8]=[CH2:9])[n:10]1[c:11]([OH:16])[n:12][n:13][c:14]1[S:15][c:18]1[s:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][n:22]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-1aef695527e2482f9a61495d64910ad5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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