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Potassium Cation → 3-[3-[3-Fluoro-5-(4-methoxy-benzylamino)-benzyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile

HRID 143705
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HRID 143705 반응식
[Br:1][CH2:2][c:3]1[cH:4][c:5]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:6][c:7]([F:9])[cH:8]1.[C:42](=[O:43])([O-:44])[O-:45].[CH:20]([CH3:21])([CH3:22])[c:23]1[c:24](=[O:41])[nH:25][c:26](=[O:40])[nH:27][c:28]1[C:29]([c:30]1[cH:31][c:32]([C:37]#[N:38])[cH:33][c:34]([CH3:36])[cH:35]1)=[O:39].[K+:46].[K+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH2:2]([c:3]1[cH:4][c:5]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:6][c:7]([F:9])[cH:8]1)[n:27]1[c:26](=[O:40])[nH:25][c:24](=[O:41])[c:23]([CH:20]([CH3:21])[CH3:22])[c:28]1[C:29]([c:30]1[cH:31][c:32]([C:37]#[N:38])[cH:33][c:34]([CH3:36])[cH:35]1)=[O:39]
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반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 468803773-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-benzonitrileHCID 59184728(3-Bromomethyl-5-fluoro-phenyl)-(4-methoxy-benzyl)-amine

생성물 1

HCID 59184771
3-[3-[3-Fluoro-5-(4-methoxy-benzylamino)-benzyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile

출처 및 근거

ORD 기록
ord-71a24928180f4855ad77b8fa2f7dc3b4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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