N-(2-Aminoethyl)isoquinoline-5-sulfonamide → Isoquinoline-5-sulfonic acid {2-[2-(4-bromo-2-isoxazol-5-yl-phenoxy)-ethylamino]-ethyl}-amide
反応式
[CH3:10][O:11][C:12]([CH2:13][O:14][c:15]1[c:16](-[c:22]2[cH:23][cH:24][n:25][o:26]2)[cH:17][c:18]([Br:21])[cH:19][cH:20]1)=[O:27].[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[NH2:28][CH2:29][CH2:30][NH:31][S:32](=[O:33])(=[O:34])[c:35]1[c:36]2[cH:37][cH:38][n:39][cH:40][c:41]2[cH:42][cH:43][cH:44]1>>[CH2:12]([CH2:13][O:14][c:15]1[c:16](-[c:22]2[cH:23][cH:24][n:25][o:26]2)[cH:17][c:18]([Br:21])[cH:19][cH:20]1)[NH:28][CH2:29][CH2:30][NH:31][S:32](=[O:33])(=[O:34])[c:35]1[c:36]2[cH:37][cH:38][n:39][cH:40][c:41]2[cH:42][cH:43][cH:44]1参加物
4
出典と根拠
- ORDレコード
- ord-496c76d26ec440d1858ad7c1bacd33a4
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)