N-(2-Aminoethyl)isoquinoline-5-sulfonamide → Isoquinoline-5-sulfonic acid {2-[2-(4-chloro-2-(3-trifluoromethyl-benzyl)-phenyloxy)-ethylamino]-ethyl}-amide

HRID 146165

反応式

HRID 146165 の反応式
[CH3:10][O:11][C:12]([CH2:13][O:14][c:15]1[c:16]([CH2:22][c:23]2[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]2)[cH:17][c:18]([Cl:21])[cH:19][cH:20]1)=[O:33].[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[NH2:34][CH2:35][CH2:36][NH:37][S:38](=[O:39])(=[O:40])[c:41]1[c:42]2[cH:43][cH:44][n:45][cH:46][c:47]2[cH:48][cH:49][cH:50]1>>[CH2:12]([CH2:13][O:14][c:15]1[c:16]([CH2:22][c:23]2[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]2)[cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[NH:34][CH2:35][CH2:36][NH:37][S:38](=[O:39])(=[O:40])[c:41]1[c:42]2[cH:43][cH:44][n:45][cH:46][c:47]2[cH:48][cH:49][cH:50]1

参加物

4

出典と根拠

ORDレコード
ord-8bf94e247bff492ba4f7aa96fb219bad
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

読み込み中…