Hydrochloric Acid → 8-{2-[2-(3,5-dimethylphenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:20]([CH2:21][NH:22][C:23]([CH2:24][c:25]2[cH:26][c:27]([CH3:32])[cH:28][c:29]([CH3:31])[cH:30]2)([CH3:33])[CH3:34])[OH:35])[c:12]2[c:13]([cH:19]1)[NH:14][C:15](=[O:18])[CH2:16][O:17]2.[CH:37]([OH:38])([CH3:39])[CH3:40].[ClH:36]>>[OH:8][c:9]1[cH:10][c:11]([CH:20]([CH2:21][NH:22][C:23]([CH2:24][c:25]2[cH:26][c:27]([CH3:32])[cH:28][c:29]([CH3:31])[cH:30]2)([CH3:33])[CH3:34])[OH:35])[c:12]2[c:13]([cH:19]1)[NH:14][C:15](=[O:18])[CH2:16][O:17]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-0b5bd4feddeb480c8720d69b3482c0cd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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