Nitric Acid → 1-(4-hydroxy-2-fluoro-5-nitrophenyl)-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one

反応式

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

参加物

反応物 3

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

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

生成物 1

HCID 201460301-(4-hydroxy-2-fluoro-5-nitrophenyl)-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one

出典と根拠

ORDレコード: ord-d9704e7c7b4f449eab468c6a76324ec4
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…