4-(3-Fluorophenyl)butan-2-one → 1-(4'-{4-[3-(3-Fluoro-phenyl)-1-methyl-propylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

反応式

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH2:27])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[F:28][c:29]1[cH:30][c:31]([CH2:35][CH2:36][C:37]([CH3:38])=[O:39])[cH:32][cH:33][cH:34]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH:27][CH:37]([CH2:36][CH2:35][c:31]5[cH:30][c:29]([F:28])[cH:34][cH:33][cH:32]5)[CH3:38])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1

参加物

反応物 2

HCID 2548094-(3-Fluorophenyl)butan-2-one

HCID 665771951-[4'-(4-Amino-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

生成物 1

HCID 665783891-(4'-{4-[3-(3-Fluoro-phenyl)-1-methyl-propylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

出典と根拠

ORDレコード: ord-e9721be9631948c08ffd60ab5756ec3d
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…