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Sodium Ion → 3-(2-((6-Bromopyridin-3-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-N-cyclopropyl-4-methylbenzamide

HRID 2157841
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HRID 2157841 반응식
[Br:27][c:28]1[n:29][cH:30][c:31]([CH2:34][Br:35])[cH:32][cH:33]1.[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[cH:16][cH:17][nH:18][c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:24])[CH2:2][CH2:3]1.[H-:25].[Na+:26].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[c:13]3[cH:14][c:15]4[cH:16][cH:17][n:18]([CH2:34][c:31]5[cH:30][n:29][c:28]([Br:27])[cH:33][cH:32]5)[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:24])[CH2:2][CH2:3]1
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반응물 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 64246602-Bromo-5-bromomethylpyridineHCID 25020457N-Cyclopropyl-4-methyl-3-(1-oxo-1,2-dihydro-isoquinolin-6-yl)-benzamide

생성물 1

HCID 575517913-(2-((6-Bromopyridin-3-yl)methyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-N-cyclopropyl-4-methylbenzamide

출처 및 근거

ORD 기록
ord-83b193f015b44f28b8332fcbe840927b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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