Chloride → 1-(4'-Methoxy(1,1'-biphenyl)-4-yl)ethanone
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[Al+3:16].[C:25](=[S:26])=[S:27].[CH3:19][C:20]([Cl:21])=[O:22].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1.[Cl-:15].[Cl-:17].[Cl-:18].[ClH:23].[OH2:24]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:20]([CH3:19])=[O:22])[cH:13][cH:14]2)[cH:7][cH:8]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-5c4f94aed1564c49a81a6dd571517a2b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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