8-bromo-6-hydroxy-4,4-dimethyl-4H-3,1-benzoxazin-2-one → 8-Bromo-6-[4-(4-methyl-phenylmercapto)-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].[CH3:16][c:17]1[cH:18][cH:19][c:20]([S:23][CH2:24][CH2:25][CH2:26][CH2:27][Cl:28])[cH:21][cH:22]1>>[Br:1][c:2]1[cH:3][c:4]([O:15][CH2:27][CH2:26][CH2:25][CH2:24][S:23][c:20]2[cH:19][cH:18][c:17]([CH3:16])[cH:22][cH:21]2)[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 202818338-bromo-6-hydroxy-4,4-dimethyl-4H-3,1-benzoxazin-2-one

HCID 541231844-(4-Methylphenylmercapto)-butylchloride

생성물 1

HCID 202817638-Bromo-6-[4-(4-methyl-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-a775b61794944363bbfcc35019509880
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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