Ethyl Acetate → 2-(4-Amino-phenyl)-3-cyclopentyl-propionic acid ethyl ester
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[c:12]1[cH:13][cH:14][c:15]([N+:18]([O-:19])=[O:20])[cH:16][cH:17]1)=[O:21].[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[c:12]1[cH:13][cH:14][c:15]([NH2:18])[cH:16][cH:17]1)=[O:21]참가 물질
3
출처 및 근거
- ORD 기록
- ord-2d165e5b9ba344cb94e357b2a2f05e8f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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