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Dimethylformamide → 4-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile

HRID 106565
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HRID 106565 반응식
[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:22])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11]([N:13]2[C:14](=[O:21])[NH:15][C:16]([CH3:19])([CH3:20])[C:17]2=[O:18])[cH:12]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]1.[Cs+:37].[Cs+:38]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:22])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11]([N:13]2[C:14](=[O:21])[N:15]([CH2:24][c:25]3[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]3)[C:16]([CH3:19])([CH3:20])[C:17]2=[O:18])[cH:12]1
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HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 701274-(Chloromethyl)benzonitrileHCID 104967Cesium cation2회HCID 595243883-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione

생성물 1

HCID 53375155
4-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile

출처 및 근거

ORD 기록
ord-8f1f1bfd0aa24ff1aeb37b6a39628f83
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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