Dichloromethane → 6-[4-(3,4-Dichloro-phenylsulfinyl)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

반응식

[CH2:33]([Cl:34])[Cl:35].[Cl:6][c:7]1[cH:8][c:9]([S:14][CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:32]2)[C:25]([CH3:30])([CH3:31])[O:26][C:27](=[O:29])[NH:28]3)[cH:10][cH:11][c:12]1[Cl:13].[S:1](=[O:2])([Cl:3])([Cl:4])=[O:5]>>[O:2]=[S:14]([c:9]1[cH:8][c:7]([Cl:6])[c:12]([Cl:13])[cH:11][cH:10]1)[CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:32]1)[C:25]([CH3:30])([CH3:31])[O:26][C:27](=[O:29])[NH:28]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 24648Sulfuryl chloride

HCID 132540186-[4-(3,4-dichloro-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 132539416-[4-(3,4-Dichloro-phenylsulfinyl)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록: ord-6149ee166045482286b666143e89db64
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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