Chloride → 1-[4-Isopropyl-2-methoxy-5-(toluene-4-sulfonyl)-phenyl]ethanone
반응식
[Al+3:27].[CH3:22][C:23]([Cl:24])=[O:25].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[cH:6][cH:7][c:8]([O:10][CH3:11])[cH:9]1.[Cl-:26].[Cl-:28].[Cl-:29]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[cH:6][c:7]([C:23]([CH3:22])=[O:25])[c:8]([O:10][CH3:11])[cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-2735eb8ffb404bbcbc938819d409b78d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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