Sodium Ion → 4-Chloro-2,5-xylenol
반응식
[Cl:33][CH2:34][Cl:35].[Na+:32].[S:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[S:23]([Cl:24])(=[O:25])([Cl:26])=[O:27].[S:28](=[O:29])([OH:30])[O-:31].[c:1]1([OH:9])[c:2]([CH3:8])[cH:3][cH:4][c:5]([CH3:7])[cH:6]1>>[c:1]1([OH:9])[c:2]([CH3:8])[cH:3][c:4]([Cl:26])[c:5]([CH3:7])[cH:6]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-00ba8f95e395489ea291c95fe53666c1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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