Water → 1-Butanol, 2-methyl-, 1-(4-methylbenzenesulfonate)
반응식
[CH3:12][CH2:13][CH:14]([CH3:15])[CH2:16][OH:17].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:19][CH2:20][Cl:21].[OH2:18].[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[Cl:10])[cH:5][cH:6]1>>[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[O:17][CH2:16][CH:14]([CH2:13][CH3:12])[CH3:15])[cH:5][cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-455fec3c163947c5a18719c95b4d0570
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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