Acetonitrile → 1-(5-Tert-butylisoxazol-3-yl)-3-(2-fluoro-5-hydroxyphenyl)urea
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[n:8][o:9]1.[CH2:29]1[CH2:30][CH2:31][C:32]2=[N:37][CH2:36][CH2:35][CH2:34][N:33]2[CH2:38][CH2:39]1.[CH3:40][C:41]#[N:42].[NH2:20][c:21]1[cH:22][c:23]([OH:28])[cH:24][cH:25][c:26]1[F:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:19])[NH:20][c:21]2[cH:22][c:23]([OH:28])[cH:24][cH:25][c:26]2[F:27])[n:8][o:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-6d8645d9817d440a921600bc974e0e13
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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