Acetaminophen → N-[4-({2-[5-Cyano-2-methyl-4-(trifluoromethyl)-1H-indol-1-yl]-1-methylethyl}oxy)phenyl]acetamide

反応式

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

参加物

反応物 2

HCID 1983Acetaminophen

HCID 674038091-(2-Hydroxypropyl)-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

生成物 1

HCID 67405184N-[4-({2-[5-Cyano-2-methyl-4-(trifluoromethyl)-1H-indol-1-yl]-1-methylethyl}oxy)phenyl]acetamide

出典と根拠

ORDレコード: ord-abf3f2afd9644368aa6a9333db5ef247
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…