1-methyl-1H-1,3-benzodiazole-2-carbaldehyde → 6-Cyclopentyl-6-[2-(3-fluoro-4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(1-methyl-1H-benzoimidazol-2-ylmethyl)-5,6-dihydro-pyran-2-one

反応式

[CH3:27][n:28]1[c:29]([CH:37]=[O:38])[n:30][c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2.[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[CH2:7][C:8](=[O:13])[CH2:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[C:9]([CH2:37][c:29]3[n:28]([CH3:27])[c:32]4[c:31]([n:30]3)[cH:36][cH:35][cH:34][cH:33]4)[C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

参加物

反応物 2

HCID 7620841-methyl-1H-1,3-benzodiazole-2-carbaldehyde

HCID 160761116-(3-fluoro-4-isopropoxyphenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dione

生成物 1

HCID 587624596-Cyclopentyl-6-[2-(3-fluoro-4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(1-methyl-1H-benzoimidazol-2-ylmethyl)-5,6-dihydro-pyran-2-one

出典と根拠

ORDレコード: ord-6b6a9d9c0c924d9fa660e169c50c720c
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…