2-{[4-(Hydroxymethyl)phenoxy]methyl}oxirane → 1-(1-(5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)-3-(4-(hydroxymethyl)phenoxy)propan-2-ol

反応式

[F:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][s:23][c:24]3[n:25][cH:26][n:27][c:28]([N:30]4[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]4)[c:29]23)[cH:19][cH:20]1.[O:1]1[CH:2]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][OH:13])[cH:10][cH:11]2)[CH2:3]1>>[OH:1][CH:2]([CH2:3][NH:36][CH:33]1[CH2:32][CH2:31][N:30]([c:28]2[n:27][cH:26][n:25][c:24]3[s:23][cH:22][c:21](-[c:18]4[cH:17][cH:16][c:15]([F:14])[cH:20][cH:19]4)[c:29]32)[CH2:35][CH2:34]1)[CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][OH:13])[cH:10][cH:11]1

参加物

反応物 2

HCID 248237062-{[4-(Hydroxymethyl)phenoxy]methyl}oxirane

HCID 690409951-(5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

生成物 1

HCID 598198981-(1-(5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)-3-(4-(hydroxymethyl)phenoxy)propan-2-ol

出典と根拠

ORDレコード: ord-d8e5ec09b81941329f6ac58093ac7e6e
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…