8-chloro-6-hydroxy-4,4-dimethyl-4H-3,1-benzoxazin-2-one → 8-chloro-6-[4-(4-chloro-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one
반응식
[Cl:16][c:17]1[cH:18][cH:19][c:20]([S:23][CH2:24][CH2:25][CH2:26][CH2:27][Cl:28])[cH:21][cH:22]1.[Cl:1][c:2]1[cH:3][c:4]([OH:15])[cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[O:8][C:7]2([CH3:13])[CH3:14]>>[Cl:1][c:2]1[cH:3][c:4]([O:15][CH2:27][CH2:26][CH2:25][CH2:24][S:23][c:20]2[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]2)[cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[O:8][C:7]2([CH3:13])[CH3:14]참가 물질
3
출처 및 근거
- ORD 기록
- ord-63abe6bf3f394803ab50556075a9e77f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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