7-chloro-6-hydroxy-4,4-dimethyl-4H-3,1-benzoxazin-2-one → 7-chloro-6-[4-(4-methyl-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

반응식

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

참가 물질

반응물 2

HCID 202818057-chloro-6-hydroxy-4,4-dimethyl-4H-3,1-benzoxazin-2-one

HCID 541231844-(4-Methylphenylmercapto)-butylchloride

생성물 1

HCID 202816887-chloro-6-[4-(4-methyl-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-ceac7fce09a9498c911cc17f26227a4b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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