Ethanol → [[6-ethyl-7-([1,1'-biphenyl]-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]acetic acid methyl ester

反応式

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

参加物

反応物 2

HCID 702Ethanol

HCID 69558384[[2-(methylthio)-6-ethyl-7-([1,1'-biphenyl]-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]acetic acid methyl ester

生成物 1

HCID 69557319[[6-ethyl-7-([1,1'-biphenyl]-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]acetic acid methyl ester

出典と根拠

ORDレコード: ord-8c9516bd36654bef98aac76d12e850b6
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…