N-(2-Aminoethyl)isoquinoline-5-sulfonamide → Isoquinoline-5-sulfonic acid {2-[2-(4-bromo-2-isoxazol-5-yl-phenoxy)-ethylamino]-ethyl}-amide

HRID 675378

반응식

HRID 675378 반응식
[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

참가 물질

4

반응물 3

HCID 3544N-(2-Aminoethyl)isoquinoline-5-sulfonamideHCID 14487Diisobutylaluminum hydrideHCID 69277354(4-Bromo-2-isoxazol-5-yl-phenoxy)-acetic acid methyl ester

생성물 1

HCID 58816135Isoquinoline-5-sulfonic acid {2-[2-(4-bromo-2-isoxazol-5-yl-phenoxy)-ethylamino]-ethyl}-amide

출처 및 근거

ORD 기록
ord-496c76d26ec440d1858ad7c1bacd33a4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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