Methanol → 7-(5-Hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 1540888

反応式

HRID 1540888 の反応式
[C:33](=[O:34])([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40].[CH3:28][OH:29].[CH3:30][O-:31].[Na+:32].[OH:1][CH:2]([CH2:3][NH:4][c:5]1[cH:6][cH:7][c:8]2[cH:9][c:10](-[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[nH:11][c:12](=[O:15])[c:13]2[cH:14]1)[CH2:26][OH:27]>>[O:1]1[CH:2]([CH2:26][OH:27])[CH2:3][N:4]([c:5]2[cH:6][cH:7][c:8]3[cH:9][c:10](-[c:16]4[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]4)[nH:11][c:12](=[O:15])[c:13]3[cH:14]2)[C:28]1=[O:29]

参加物

6

反応物 5

HCID 887MethanolHCID 923Sodium ionHCID 7766Diethyl CarbonateHCID 3826051MethoxideHCID 231568437-(2,3-dihydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

生成物 1

HCID 575581517-(5-Hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

出典と根拠

ORDレコード
ord-c11a54c6d3cf43d29ac996ed1841d3cc
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

関連ノート

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