3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl bromide → 7-[3-(3-Chloro-2-fluoro-5-trifluoromethylbenzyl)-4,4,4-trifluoro-3-hydroxy-1,1-dimethylbutyl]-2,3-dihydrobenzofuran-5-carbonitrile

反応式

[Cl:22][c:23]1[c:24]([F:35])[c:25]([CH2:26][Br:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1.[F:1][C:2]([C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:17]#[N:18])[cH:11][c:12]2[c:16]1[O:15][CH2:14][CH2:13]2)=[O:19])([F:20])[F:21]>>[F:1][C:2]([C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:17]#[N:18])[cH:11][c:12]2[c:16]1[O:15][CH2:14][CH2:13]2)([OH:19])[CH2:26][c:25]1[c:24]([F:35])[c:23]([Cl:22])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]1)([F:20])[F:21]

参加物

反応物 2

HCID 27737643-Chloro-2-fluoro-5-(trifluoromethyl)benzyl bromide

HCID 694750267-(4,4,4-Trifluoro-1,1-dimethyl-3-oxobutyl)-2,3-dihydrobenzofuran-5-carbonitrile

生成物 1

HCID 589599917-[3-(3-Chloro-2-fluoro-5-trifluoromethylbenzyl)-4,4,4-trifluoro-3-hydroxy-1,1-dimethylbutyl]-2,3-dihydrobenzofuran-5-carbonitrile

出典と根拠

ORDレコード: ord-b28dcb71429e4dd9b735a19d53ae40eb
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…