4-(4-Methoxybutyl)-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid → HCID 58375928, 화합물
반응식
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C:8](=[O:26])[C:9]([CH3:24])([CH3:25])[O:10][c:11]2[c:12]1[cH:13][c:14]([C:21](=[O:22])[OH:23])[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2.[CH:27]([CH3:28])([CH3:29])[NH:30][CH:31]1[CH2:32][N:33]([C:36](=[O:37])[O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:34][CH2:35]1>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C:8](=[O:26])[C:9]([CH3:24])([CH3:25])[O:10][c:11]2[c:12]1[cH:13][c:14]([C:21](=[O:23])[N:30]([CH:27]([CH3:28])[CH3:29])[CH:31]1[CH2:32][N:33]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:34][CH2:35]1)[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-83d32d1b3a1d444cbc6e394275dcc49b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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