Hydrogen Peroxide → 6-[4-(4-Methyl-phenylsulfinyl)-butoxy]-4,4-dicyclohexyl-4H-3,1-benzoxazin-2-one

반응식

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][CH2:10][CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:36]2)[C:19]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[O:20][C:21](=[O:23])[NH:22]3)[cH:6][cH:7]1.[OH:37][OH:38]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8]([CH2:9][CH2:10][CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:36]2)[C:19]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[O:20][C:21](=[O:23])[NH:22]3)=[O:37])[cH:6][cH:7]1

참가 물질

반응물 2

HCID 784Hydrogen Peroxide

HCID 132605336-[4-(4-methylphenylmercapto)-butoxy]-4,4-dicyclohexyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 132605816-[4-(4-Methyl-phenylsulfinyl)-butoxy]-4,4-dicyclohexyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-92c0a82a5d214badb96b9acacc475f3d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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