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Potassium Cation → Methyl 4-((6-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-oxoisoquinolin-2(1H)-yl)methyl)benzoate

HRID 1128877
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HRID 1128877 반응식
[Br:31][CH2:32][c:33]1[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]1.[C:25](=[O:26])([O-:27])[O-:28].[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.[K+:29].[K+:30].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[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]([CH2:32][c:33]5[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]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 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 256687Methyl 4-(bromomethyl)benzoateHCID 25020457N-Cyclopropyl-4-methyl-3-(1-oxo-1,2-dihydro-isoquinolin-6-yl)-benzamide

생성물 1

HCID 57551782
Methyl 4-((6-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-oxoisoquinolin-2(1H)-yl)methyl)benzoate

출처 및 근거

ORD 기록
ord-f7bb293600054b5fa2e1f4372d4a2c42
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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