Ethanol → HCID 59150509, 화합물
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[Br:19][CH2:20][CH2:21][CH2:22][CH2:23][Cl:24].[CH3:1][n:2]1[c:3](=[S:18])[nH:4][n:5][c:6]1-[c:7]1[c:8]2[cH:9][cH:10][c:11]([CH3:17])[n:12][c:13]2[cH:14][cH:15][cH:16]1.[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][OH:35].[H-:26].[Na+:25]>>[CH3:1][n:2]1[c:3]([S:18][CH2:20][CH2:21][CH2:22][CH2:23][Cl:24])[n:4][n:5][c:6]1-[c:7]1[c:8]2[cH:9][cH:10][c:11]([CH3:17])[n:12][c:13]2[cH:14][cH:15][cH:16]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-95ff756518d04c28bfc15e8ee3536fb5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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