Chloride → 3-(2,4-Dichlorophenoxy)phenol
반응식
[Al+3:19].[Cl-:18].[Cl-:20].[Cl-:21].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([O:11][CH3:12])[cH:8][cH:9][cH:10]2)[cH:13][cH:14][c:15]([Cl:17])[cH:16]1.[Cl:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([OH:11])[cH:8][cH:9][cH:10]2)[cH:13][cH:14][c:15]([Cl:17])[cH:16]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-2a9135b6955241fb9fc508892ef12b7c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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