Toluene → 1-(1-Tert-butoxycarbonylpiperidin-4-yl)-3-phenylpyrazole
反応式
[CH2:26]([P:27](=[CH:28][C:29]#[N:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH:12][CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1.[c:1]1(-[c:7]2[n:8][nH:9][cH:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9]([CH:13]3[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[cH:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1参加物
5
出典と根拠
- ORDレコード
- ord-56846fc73bb94ba9b2e25871f4221ceb
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)