Hydrogen Peroxide → 6-[4-(4-Chloro-phenylsulfinyl)-butoxy]-7-chloro-4,4-dimethyl-4H-3,1-benzoxazin-2-one

반응식

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

참가 물질

반응물 2

HCID 784Hydrogen Peroxide

HCID 202818027-chloro-6-[4-(4-chloro-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 202817976-[4-(4-Chloro-phenylsulfinyl)-butoxy]-7-chloro-4,4-dimethyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-e456abade5f84a46aec8fc2f05fbc588
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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