Dimethyl Sulfoxide → 1-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione

反応式

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

参加物

反応物 3

HCID 679Dimethyl Sulfoxide

HCID 10322Piperonyl alcohol

HCID 574224243-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione

生成物 1

HCID 579449361-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione

出典と根拠

ORDレコード: ord-e717fa075a1f4961bfabbff825c6f612
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…