Tert-Butylamine → 5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzo[b]thiophene-3-carboxamide

反応式

[CH3:30][C:31]([CH3:32])([CH3:33])[NH2:34].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:26]([NH:27][CH3:28])=[O:29])[c:10]3[c:11]([s:12]2)[cH:13][cH:14][c:15](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][cH:25]2)[cH:16]3)[cH:6][cH:7]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:26]([NH:27][CH3:28])=[O:29])[c:10]3[c:11]([s:12]2)[cH:13][cH:14][c:15](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:34][C:31]([CH3:30])([CH3:32])[CH3:33])[cH:23][cH:24][cH:25]2)[cH:16]3)[cH:6][cH:7]1

参加物

反応物 3

HCID 6385Tert-Butylamine

HCID 6422Trifluoroacetic acid

HCID 592338473-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzo[b]thiophen-5-yl)benzoic acid

生成物 1

HCID 592337135-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzo[b]thiophene-3-carboxamide

出典と根拠

ORDレコード: ord-0b8c49e61ea546c8abbbb25aed5a028b
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…