Hydrochloric Acid → 4-{4-[(2-Tert-butylphenoxy)methyl]piperidin-1-yl}-2,2-dimethyl-4-oxobutanoic acid
반응식
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[c:7]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:16][cH:17][cH:18][cH:19]1.[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][C:28]1([CH3:35])[C:29](=[O:34])[O:30][C:31](=[O:33])[CH2:32]1.[ClH:1]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[c:7]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([C:31]([CH2:32][C:28]([CH3:27])([C:29](=[O:30])[OH:34])[CH3:35])=[O:33])[CH2:14][CH2:15]2)[cH:16][cH:17][cH:18][cH:19]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-725d913a59cd42fb81455d54d102058f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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