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Sodium Ion → 4-[4,4-Dimethyl 2,5-dioxo 3-(4-methoxybutyl) 1-imidazolidinyl] 2-(trifluoromethyl)-benzonitrile

HRID 176985
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HRID 176985 반응식
[CH3:29][I:30].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[CH3:3][C:4]1([CH3:28])[N:5]([CH2:23][CH2:24][CH2:25][CH2:26][OH:27])[C:6](=[O:22])[N:7]([c:10]2[cH:11][c:12]([C:18]([F:19])([F:20])[F:21])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C:8]1=[O:9].[H-:1].[Na+:2].[OH2:31]>>[CH3:3][C:4]1([CH3:28])[N:5]([CH2:23][CH2:24][CH2:25][CH2:26][O:27][CH3:29])[C:6](=[O:22])[N:7]([c:10]2[cH:11][c:12]([C:18]([F:19])([F:20])[F:21])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C:8]1=[O:9]
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HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 1329814-(3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrileHCID 166653Hydride

생성물 1

HCID 221169174-[4,4-Dimethyl 2,5-dioxo 3-(4-methoxybutyl) 1-imidazolidinyl] 2-(trifluoromethyl)-benzonitrile

출처 및 근거

ORD 기록
ord-9b8b0a4602084f4293c29ac15a480c84
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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