5-chloro-6-hydroxy-4H-3,1-benzoxazin-2-one → 5-Chloro-6-[4-(4-methyl-phenylmercapto)-butoxy]-4H-3,1-benzoxazin-2-one

반응식

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

참가 물질

반응물 2

HCID 202818835-chloro-6-hydroxy-4H-3,1-benzoxazin-2-one

HCID 541231844-(4-Methylphenylmercapto)-butylchloride

생성물 1

HCID 202818315-Chloro-6-[4-(4-methyl-phenylmercapto)-butoxy]-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-04e63e71dc8e42f783c19b30370dfa24
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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