Ethyl Acetoacetate → 2-(2-chloro-4-methanesulfonylbenzyl)-3-oxobutyric Acid Ethyl Ester
반응식
[Br:1][CH2:2][c:3]1[c:4]([Cl:13])[cH:5][c:6]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:7][cH:8]1.[CH2:14]([CH3:15])[O:16][C:17]([CH2:18][C:19]([CH3:20])=[O:21])=[O:22]>>[CH2:2]([c:3]1[c:4]([Cl:13])[cH:5][c:6]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:7][cH:8]1)[CH:18]([C:17]([O:16][CH2:14][CH3:15])=[O:22])[C:19]([CH3:20])=[O:21]참가 물질
3
출처 및 근거
- ORD 기록
- ord-b9615f50c60247ea8179f9fbc3768f62
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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