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Potassium Cation → N-Cyclopropyl-3-(2-((6-(3-(dimethylamino)propoxy)pyridin-3-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

HRID 305209
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HRID 305209 반응식
[Br:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][n:22]2[c:23](=[O:45])[c:24]3[cH:25][cH:26][c:27](-[c:32]4[cH:33][c:34]([C:35](=[O:36])[NH:37][CH:38]5[CH2:39][CH2:40]5)[cH:41][cH:42][c:43]4[CH3:44])[cH:28][c:29]3[cH:30][cH:31]2)[cH:19][n:20]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][OH:6])[CH3:7].[CH3:8][C:9]([CH3:10])([O-:11])[CH3:12].[K+:13]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][O:6][c:15]1[cH:16][cH:17][c:18]([CH2:21][n:22]2[c:23](=[O:45])[c:24]3[cH:25][cH:26][c:27](-[c:32]4[cH:33][c:34]([C:35](=[O:36])[NH:37][CH:38]5[CH2:39][CH2:40]5)[cH:41][cH:42][c:43]4[CH3:44])[cH:28][c:29]3[cH:30][cH:31]2)[cH:19][n:20]1)[CH3:7]
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반응물 5

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 766463-(Dimethylamino)-1-propanolHCID 45749132-Methylpropan-2-olateHCID 575517913-(2-((6-Bromopyridin-3-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-N-cyclopropyl-4-methylbenzamide

생성물 1

HCID 25019959
N-Cyclopropyl-3-(2-((6-(3-(dimethylamino)propoxy)pyridin-3-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

출처 및 근거

ORD 기록
ord-2a47a37fdd08462d9a9afac081330717
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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