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Imidazole → 3-[2-(3-{[tert-Butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

HRID 286131
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반응식

HRID 286131 반응식
[C:34]([CH3:35])([CH3:36])([CH3:37])[Si:38]([Cl:39])([CH3:40])[CH3:41].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:32])[c:9]([CH3:31])[c:10](-[c:12]3[cH:13][c:14]4[c:15]([CH:29]=[O:30])[cH:16][n:17]([CH2:23][C:24]([CH2:25][OH:26])([CH3:27])[CH3:28])[c:18](=[O:22])[c:19]4[cH:20][cH:21]3)[cH:11]2)=[O:33])[CH2:2][CH2:3]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[nH:42]1[cH:43][cH:44][n:45][cH:46]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:32])[c:9]([CH3:31])[c:10](-[c:12]3[cH:13][c:14]4[c:15]([CH:29]=[O:30])[cH:16][n:17]([CH2:23][C:24]([CH2:25][O:26][Si:38]([C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:40])[CH3:41])([CH3:27])[CH3:28])[c:18](=[O:22])[c:19]4[cH:20][cH:21]3)[cH:11]2)=[O:33])[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 795ImidazoleHCID 962WaterHCID 6228DimethylformamideHCID 28928tert-Butyldimethylsilyl chlorideHCID 86640963N-Cyclopropyl-3-fluoro-5-(4-formyl-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

생성물 1

HCID 86640969
3-[2-(3-{[tert-Butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

출처 및 근거

ORD 기록
ord-63d6934516044503974e84392666e078
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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