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Potassium Cation → N-Cyclopropyl-3-fluoro-5-(4-formyl-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

HRID 802229
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HRID 802229 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:19]=[O:20])[cH:6][n:7]([CH2:13][C:14]([CH2:15][OH:16])([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][CH2:51][CH2:52][CH:53]([CH3:54])[CH3:55].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[CH:21]1([NH:24][C:25]([c:26]2[cH:27][c:28]([F:42])[c:29]([CH3:41])[c:30]([B:32]3[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]3)[cH:31]2)=[O:43])[CH2:22][CH2:23]1.[K+:48].[K+:49].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61]>>[c:2]1(-[c:30]2[c:29]([CH3:41])[c:28]([F:42])[cH:27][c:26]([C:25]([NH:24][CH:21]3[CH2:22][CH2:23]3)=[O:43])[cH:31]2)[cH:3][c:4]2[c:5]([CH:19]=[O:20])[cH:6][n:7]([CH2:13][C:14]([CH2:15][OH:16])([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium Cation2회HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 78922-MethylpentaneHCID 19660Carbonate IonHCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
HCID 86640968
6-Bromo-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde

생성물 1

HCID 86640963N-Cyclopropyl-3-fluoro-5-(4-formyl-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

출처 및 근거

ORD 기록
ord-0eb7649690124f9586084ca8e1d0023e
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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