Dimethyl Sulfoxide → Trifluoromethyluracil
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[B-:22]([F:23])([F:24])([F:25])[F:26].[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:33][S:34](=[O:35])[CH3:36].[F:10][B-:11]([F:12])([F:13])[F:14].[F:15][C:16]([F:17])([F:18])[I:19].[Fe+2:27].[H+:9].[OH:20][OH:21].[nH:1]1[c:2](=[O:3])[nH:4][c:5](=[O:6])[cH:7][cH:8]1>>[nH:1]1[c:2](=[O:3])[nH:4][c:5](=[O:6])[c:7]([C:16]([F:15])([F:17])[F:18])[cH:8]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-a1753b3e31784082bfbd3ab342dafa68
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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