Water → 3-Hydroxybutyl 4-methylbenzenesulfonate
반응식
[CH2:25]([Cl:26])[Cl:27].[CH2:7]([CH2:8][CH:9]([CH3:10])[OH:11])[OH:12].[OH2:24].[c:13]1([CH3:23])[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[Cl:22])[cH:17][cH:18]1.[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH2:7]([CH2:8][CH:9]([CH3:10])[OH:11])[O:12][S:19]([c:16]1[cH:15][cH:14][c:13]([CH3:23])[cH:18][cH:17]1)(=[O:20])=[O:21]참가 물질
6
출처 및 근거
- ORD 기록
- ord-eef7d5ca6d72436baec6256ab05c7aa0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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