Toluene → 2-(2,6-Diethylphenyl)-5-[(5-isopropyl-2-methylphenoxy)methyl]-4-methyl-6-piperazin-1-ylpyrimidine

HRID 670871

反応式

HRID 670871 の反応式
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[n:12][c:13]([CH3:42])[c:14]([CH2:30][O:31][c:32]3[c:33]([CH3:41])[cH:34][cH:35][c:36]([CH:38]([CH3:39])[CH3:40])[cH:37]3)[c:15]([N:17]3[CH2:18][CH2:19][N:20]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:22]3)[n:16]2)[c:5]([CH2:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[n:12][c:13]([CH3:42])[c:14]([CH2:30][O:31][c:32]3[c:33]([CH3:41])[cH:34][cH:35][c:36]([CH:38]([CH3:39])[CH3:40])[cH:37]3)[c:15]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[n:16]2)[c:5]([CH2:9][CH3:10])[cH:6][cH:7][cH:8]1

参加物

4

出典と根拠

ORDレコード
ord-387121137a6343a98761b7ecbc4f496f
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

関連ノート

読み込み中…