Water → 2-(3-Nitrobenzene-1-sulfonyl)ethyl 3-(chlorosulfonyl)benzoate

반응식

[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13]1.[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][c:19]([S:23](=[O:24])(=[O:25])[CH2:26][CH2:27][OH:28])[cH:20][cH:21][cH:22]1.[OH2:29]>>[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8]([O:9][CH2:27][CH2:26][S:23]([c:19]2[cH:18][c:17]([N+:14](=[O:15])[O-:16])[cH:22][cH:21][cH:20]2)(=[O:24])=[O:25])=[O:10])[cH:11][cH:12][cH:13]1

참가 물질

반응물 3

HCID 962Water

HCID 77641Benzoic acid, 3-(chlorosulfonyl)-

HCID 170561Ethanol, 2-[(3-nitrophenyl)sulfonyl]-

생성물 1

HCID 713766552-(3-Nitrobenzene-1-sulfonyl)ethyl 3-(chlorosulfonyl)benzoate

출처 및 근거

ORD 기록: ord-283481e62ad64081b3657030f5756431
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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