Hydrogen Peroxide → 6-[4-(4-Cyclohexyl-phenylsulfinyl)-butoxy]-4,4-di-n-hexyl-4H-3,1-benzoxazin-2-one
Reaction equation
[CH:1]1([c:7]2[cH:8][cH:9][c:10]([S:13][CH2:14][CH2:15][CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]4[c:23]([cH:41]3)[C:24]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[O:25][C:26](=[O:28])[NH:27]4)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH:42][OH:43]>>[CH:1]1([c:7]2[cH:8][cH:9][c:10]([S:13]([CH2:14][CH2:15][CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]4[c:23]([cH:41]3)[C:24]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[O:25][C:26](=[O:28])[NH:27]4)=[O:42])[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
3
Sources & evidence
- ORD record
- ord-2fcb2adebe364bb58ab1dbef6c28dcf5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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