(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid → 3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]-oxazin-6-yl)-5-fluoro-phenylacetonitrile

反応式

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

参加物

反応物 2

HCID 10987806(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

HCID 235096352-(3-Bromo-5-fluorophenyl)acetonitrile

生成物 1

HCID 227366313-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]-oxazin-6-yl)-5-fluoro-phenylacetonitrile

出典と根拠

ORDレコード: ord-2658080f39434e619ffcc64bd0f594fa
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…