Ethanol → ethyl 2,2-bisfluoromethyl-6-nitro-2H-1-benzopyran-4-carboxylate

반응식

[CH2:26]([CH3:27])[OH:28].[F:1][CH2:2][C:3]1([CH2:19][F:20])[O:4][c:5]2[c:6]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[C:7]([C:9](=[O:10])[OH:11])=[CH:8]1.[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[F:1][CH2:2][C:3]1([CH2:19][F:20])[O:4][c:5]2[c:6]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[C:7]([C:9](=[O:10])[O:11][CH2:26][CH3:27])=[CH:8]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 1118Sulfuric Acid

HCID 211949872,2-bisfluoromethyl-6-nitro-2H-1-benzopyran-4-carboxylic acid

생성물 1

HCID 19037092ethyl 2,2-bisfluoromethyl-6-nitro-2H-1-benzopyran-4-carboxylate

출처 및 근거

ORD 기록: ord-5927813502c4490d9b8d4cfba8bf93d6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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