Acetone → 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester

反応式

[CH3:1][O:2][C:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH:18]([C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH2:19][CH2:20]2)[OH:35])[cH:9][cH:10]1)([CH3:36])[CH3:37])=[O:38].[CH3:39][C:40](=[O:41])[CH3:42]>>[CH3:1][O:2][C:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH:18]([C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH2:19][CH2:20]2)=[O:35])[cH:9][cH:10]1)([CH3:36])[CH3:37])=[O:38]

参加物

反応物 2

HCID 180Acetone

HCID 9936344Methyl 4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-hydroxybutyl)-I+-,I+--dimethylphenylacetate

生成物 1

HCID 99581012-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester

出典と根拠

ORDレコード: ord-a21d032ed772474296e9b65f8745a2b1
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…