Chlorosulfonyl isocyanate → tert-Butyl-2-cyano-5-(5,5-dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-1-carboxylate
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:26]2)[C:18]([CH3:24])([CH3:25])[O:19][CH2:20][C:21](=[O:23])[NH:22]3)[cH:10][cH:11][cH:12]1.[Cl:27][S:28](=[O:30])([N:31]=[C:32]=[O:29])=[O:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:26]2)[C:18]([CH3:24])([CH3:25])[O:19][CH2:20][C:21](=[O:23])[NH:22]3)[cH:10][cH:11][c:12]1[C:32]#[N:31]참가 물질
3
출처 및 근거
- ORD 기록
- ord-ae1e2d1ae5f94b809af8f4aaacdff0fa
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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