Acetonitrile → Methanesulfonic Acid
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[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[CH3:37][C:38]#[N:39].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[O:13])[CH:14]3[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][CH2:22][C:23](=[O:24])[c:25]4[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]4)[CH2:18][CH2:19]3)[cH:8][c:9]2[cH:10][cH:11]1>>[CH3:32][S:33](=[O:34])(=[O:35])[OH:36].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[O:13])[CH:14]3[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][CH2:22][C:23](=[O:24])[c:25]4[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]4)[CH2:18][CH2:19]3)[cH:8][c:9]2[cH:10][cH:11]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-c34eeb3e50774dfab9de3956d9a8b369
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)