Dichloromethane → 3-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propanoic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86629015tert-Butyl 3-[(5-oxido-4-(phenylsulphonyl)-1,2,5-oxadiazol-3-yl)-oxy]-propionate

생성물 1

HCID 576261723-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propanoic acid

출처 및 근거

ORD 기록: ord-1dc128b2601c440da6f293f58014e40a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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