Phenyl 2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethylcarbamate → HCID 22244612, 화합물
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[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23]([O:24][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:25])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:32][N:33]([CH2:34][CH2:35][O:36][c:37]1[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[NH2:46])[cH:41][cH:42]1)[CH3:47]>>[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[NH:46][S:43]([c:40]3[cH:39][cH:38][c:37]([O:36][CH2:35][CH2:34][N:33]([CH3:32])[CH3:47])[cH:42][cH:41]3)(=[O:44])=[O:45])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-796b617ee3f94533baf5d1bd9bc29be7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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