5-Bromo-4-methylthiophene-2-carbonitrile → 5-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-4-methylthiophene-2-carbonitrile
반응식
[Br:16][c:17]1[c:18]([CH3:24])[cH:19][c:20]([C:22]#[N:23])[s:21]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[C:7]([CH3:13])([CH3:14])[O:8][CH2:9][C:10](=[O:12])[NH:11]2>>[c:2]1(-[c:17]2[c:18]([CH3:24])[cH:19][c:20]([C:22]#[N:23])[s:21]2)[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[C:7]([CH3:13])([CH3:14])[O:8][CH2:9][C:10](=[O:12])[NH:11]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-ca2f177cd1764e02a6d39e3fc0661b64
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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