Hydrogen Peroxide → 6-[4-(4-Chloro-phenylsulfinyl)-butoxy]-8-chloro-4,4-dimethyl-4H-3,1-benzoxazin-2-one

반응식

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

참가 물질

반응물 2

HCID 784Hydrogen Peroxide

HCID 202818188-chloro-6-[4-(4-chloro-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 202818156-[4-(4-Chloro-phenylsulfinyl)-butoxy]-8-chloro-4,4-dimethyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-636ac154c09f4afdaa748eb56a9155db
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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