2-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide → 2-[[4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
反応式
[C:32](#[N:33])[c:34]1[cH:35][cH:36][c:37](-[c:38]2[cH:39][n:40][c:41]([N:42]3[CH2:43][CH2:44][N:45]([S:46]([CH2:47][CH:48]([CH:49]([CH3:50])[CH3:51])[C:52]([OH:53])=[O:54])(=[O:55])=[O:56])[CH2:57][CH2:58]3)[n:59][cH:60]2)[cH:61][cH:62]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH:24]([C:25](=[O:26])[NH:27][OH:28])[CH:29]([CH3:30])[CH3:31])[CH2:18][CH2:19]3)[n:12][cH:13]2)[cH:6][cH:7]1>>[c:2]1([C:32]#[N:33])[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH:24]([C:25](=[O:26])[NH:27][OH:28])[CH:29]([CH3:30])[CH3:31])[CH2:18][CH2:19]3)[n:12][cH:13]2)[cH:6][cH:7]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-5d0208a64174470f9d283bb12b134553
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)