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Potassium Cation → 6-Dimethylamino-2-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one

HRID 678931
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HRID 678931 반응식
[Br:33][c:34]1[c:35]([CH3:54])[c:36](-[n:40]2[c:41](=[O:53])[c:42]3[cH:43][cH:44][c:45]([N:50]([CH3:51])[CH3:52])[cH:46][c:47]3[cH:48][cH:49]2)[cH:37][cH:38][cH:39]1.[CH3:1][n:2]1[c:3](=[O:32])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[K+:60].[K+:61].[K+:62].[P:55]([O-:56])([O-:57])([O-:58])=[O:59]>>[CH3:1][n:2]1[c:3](=[O:32])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:5][c:6](-[c:34]2[c:35]([CH3:54])[c:36](-[n:40]3[c:41](=[O:53])[c:42]4[cH:43][cH:44][c:45]([N:50]([CH3:51])[CH3:52])[cH:46][c:47]4[cH:48][cH:49]3)[cH:37][cH:38][cH:39]2)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 813Potassium Cation3회HCID 1061PhosphateHCID 592164661-Methyl-3-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-oneHCID 592165052-(3-Bromo-2-methyl-phenyl)-6-dimethylamino-2H-isoquinolin-1-one

생성물 1

HCID 44182937
6-Dimethylamino-2-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one

출처 및 근거

ORD 기록
ord-c6be810af34e461eb3bcd8cc17ec2e39
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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