Ethanol → 4-(2,3-Dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(1-phenylethylamino)methyl]pentan-2-ol

反応式

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

参加物

反応物 3

HCID 702Ethanol

HCID 74081-Phenethylamine

HCID 577755187-[1,1-Dimethyl-2-(2-trifluoromethyloxiranyl)ethyl]-2,3-dihydrobenzofuran

生成物 1

HCID 731994164-(2,3-Dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(1-phenylethylamino)methyl]pentan-2-ol

出典と根拠

ORDレコード: ord-60c49b446b244eea9773933fda092045
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…