Hydrogen Peroxide → 6-[4-(3,4-Dichloro-phenylsulfinyl)-butoxy]-4,4-di-n-hexyl-4H-3,1-benzoxazin-2-one
반응식
[Cl:1][c:2]1[cH:3][c:4]([S:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:37]2)[C:20]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[O:21][C:22](=[O:24])[NH:23]3)[cH:5][cH:6][c:7]1[Cl:8].[OH:38][OH:39]>>[Cl:1][c:2]1[cH:3][c:4]([S:9]([CH2:10][CH2:11][CH2:12][CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:37]2)[C:20]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[O:21][C:22](=[O:24])[NH:23]3)=[O:38])[cH:5][cH:6][c:7]1[Cl:8]참가 물질
3
출처 및 근거
- ORD 기록
- ord-613a5a5dccff4a45b1da6561995e4011
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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