Acetic Acid → 2,2,2-trifluoro-1-(7-nitro-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 1118Sulfuric Acid

HCID 64237442,2,2-Trifluoro-N-[2-(4-nitro-phenyl)-ethyl]-acetamide

생성물 1

HCID 219568152,2,2-trifluoro-1-(7-nitro-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

출처 및 근거

ORD 기록: ord-d17b4cf9e5494bfa8e52be5f50b8ed09
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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