Acetic Acid → 1-(2-fluoro-4-hydroxyphenyl)-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 189810431-[4-(4-fluorophenylmethoxy)-2-fluorophenyl]-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one

생성물 1

HCID 189810471-(2-fluoro-4-hydroxyphenyl)-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one

출처 및 근거

ORD 기록: ord-4101512cd6f4492f9791ecd9c12860c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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