Ethanol → Methanesulfonic Acid
반응식
[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH3:36][CH2:37][OH:38].[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH2:13][N:14]5[CH2:15][CH2:16][O:17][CH2:18][CH2:19]5)=[O:20])[C:21]4([CH3:30])[CH2:22][C:23](=[O:29])[CH:24]3[C:25]2([CH3:28])[CH2:26][CH2:27]1>>[CH3:31][S:32](=[O:33])(=[O:34])[OH:35].[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH2:13][N:14]5[CH2:15][CH2:16][O:17][CH2:18][CH2:19]5)=[O:20])[C:21]4([CH3:30])[CH2:22][C:23](=[O:29])[CH:24]3[C:25]2([CH3:28])[CH2:26][CH2:27]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-d63e5feaa0fc44a798fef38aafffd91b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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