Hydrogen Peroxide → 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(4-((4-cyclohexylphenyl)sulfinyl)butoxy)-4,4-dimethyl-

반응식

[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:31]3)[C:24]([CH3:29])([CH3:30])[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:32][OH:33]>>[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:31]3)[C:24]([CH3:29])([CH3:30])[O:25][C:26](=[O:28])[NH:27]4)=[O:32])[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 784Hydrogen Peroxide

HCID 132605266-[4-(4-Cyclohexyl-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 132605582H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(4-((4-cyclohexylphenyl)sulfinyl)butoxy)-4,4-dimethyl-

출처 및 근거

ORD 기록: ord-d17c5a52083241c1971e06f7edeaaebe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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