Acetate → HCID 136265272, 화합물
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[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10]([c:11]2[c:12]([OH:18])[cH:13][cH:14][c:15]([F:17])[cH:16]2)=[O:19])[CH2:8][CH2:9]1.[CH3:24][C:25](=[O:26])[O-:27].[CH3:28][CH2:29][OH:30].[ClH:20].[NH2:21][OH:22].[NH4+:23]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10]([c:11]2[c:12]([OH:18])[cH:13][cH:14][c:15]([F:17])[cH:16]2)=[N:21][OH:22])[CH2:8][CH2:9]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-02fb5334b4104f5e9cbb5f822cd9b949
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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