4-(4-Bromobutane-1-sulfinyl)-1,2-dichlorobenzene → 8-Bromo-6-[4-(3,4-dichloro-phenylsulfinyl)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

반응식

[Br:1][c:2]1[cH:3][c:4]([OH:15])[cH:5][c:6]2[c:11]1[NH:10][C:9](=[O:12])[O:8][C:7]2([CH3:13])[CH3:14].[Cl:16][c:17]1[cH:18][c:19]([S:24](=[O:25])[CH2:26][CH2:27][CH2:28][CH2:29][Br:30])[cH:20][cH:21][c:22]1[Cl:23]>>[Br:1][c:2]1[cH:3][c:4]([O:15][CH2:29][CH2:28][CH2:27][CH2:26][S:24]([c:19]2[cH:18][c:17]([Cl:16])[c:22]([Cl:23])[cH:21][cH:20]2)=[O:25])[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 130846014-(4-Bromobutane-1-sulfinyl)-1,2-dichlorobenzene

HCID 202818338-bromo-6-hydroxy-4,4-dimethyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 202818908-Bromo-6-[4-(3,4-dichloro-phenylsulfinyl)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-6c78f92f519c47bdaff46391bf699c3e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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