Isoquinoline-4-boronic acid → 8-Isoquinolin-4-yl-quinoxaline-5-carboxylic acid [3-(4-ethyl-piperazin-1-yl)phenyl]-amide

HRID 830663

반응식

HRID 830663 반응식
[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[cH:10][c:11]([NH2:12])[cH:13][cH:14][cH:15]2)[CH2:7][CH2:8]1.[cH:16]1[n:17][cH:18][c:19](-[c:26]2[cH:27][cH:28][c:29]([C:36](=[O:37])[OH:38])[c:30]3[n:31][cH:32][cH:33][n:34][c:35]23)[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]12.[cH:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[c:46]([B:47]([OH:48])[OH:49])[cH:50][n:51]1>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[cH:10][c:11]([NH:12][C:36]([c:29]3[cH:28][cH:27][c:26](-[c:19]4[cH:18][n:17][cH:16][c:25]5[c:20]4[cH:21][cH:22][cH:23][cH:24]5)[c:35]4[c:30]3[n:31][cH:32][cH:33][n:34]4)=[O:37])[cH:13][cH:14][cH:15]2)[CH2:7][CH2:8]1

참가 물질

4

반응물 3

HCID 3761204Isoquinoline-4-boronic acidHCID 223301053-(4-Ethylpiperazin-1-yl)anilineHCID 669145128-Isoquinolin-4-yl-quinoxaline-5-carboxylic acid

생성물 1

HCID 445156698-Isoquinolin-4-yl-quinoxaline-5-carboxylic acid [3-(4-ethyl-piperazin-1-yl)phenyl]-amide

출처 및 근거

ORD 기록
ord-84b1e596091e43e6ad2b3bf20654338e
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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