N-(2-Aminoethyl)isoquinoline-5-sulfonamide → Isoquinoline-5-sulfonic acid {2-[2-(2-bromo-4-fluoro-phenyloxy)-ethylamino]-ethyl}-amide
Reaction equation
[CH3:10][O:11][C:12]([CH2:13][O:14][c:15]1[c:16]([Br:22])[cH:17][c:18]([F:21])[cH:19][cH:20]1)=[O:23].[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[NH2:24][CH2:25][CH2:26][NH:27][S:28](=[O:29])(=[O:30])[c:31]1[c:32]2[cH:33][cH:34][n:35][cH:36][c:37]2[cH:38][cH:39][cH:40]1>>[CH2:12]([CH2:13][O:14][c:15]1[c:16]([Br:22])[cH:17][c:18]([F:21])[cH:19][cH:20]1)[NH:24][CH2:25][CH2:26][NH:27][S:28](=[O:29])(=[O:30])[c:31]1[c:32]2[cH:33][cH:34][n:35][cH:36][c:37]2[cH:38][cH:39][cH:40]1Participants
4
Sources & evidence
- ORD record
- ord-9fa47fd414d540f3a7384db2847694b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)