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Potassium Cation → 3-[3-(2,6-Dichloro-pyrimidin-4-ylmethyl)-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile

HRID 666889
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HRID 666889 반응식
[C:33](=[O:34])([O-:35])[O-:36].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](=[O:22])[nH:6][c:7](=[O:21])[nH:8][c:9]1[C:10]([c:11]1[cH:12][c:13]([C:18]#[N:19])[cH:14][c:15]([CH3:17])[cH:16]1)=[O:20].[Cl:23][c:24]1[n:25][c:26]([CH2:31][Cl:32])[cH:27][c:28]([Cl:30])[n:29]1.[I-:39].[K+:37].[K+:38].[Li+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5](=[O:22])[nH:6][c:7](=[O:21])[n:8]([CH2:31][c:26]2[n:25][c:24]([Cl:23])[n:29][c:28]([Cl:30])[cH:27]2)[c:9]1[C:10]([c:11]1[cH:12][c:13]([C:18]#[N:19])[cH:14][c:15]([CH3:17])[cH:16]1)=[O:20]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 150017782,4-Dichloro-6-(chloromethyl)pyrimidineHCID 468803773-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-benzonitrile

생성물 1

HCID 596868473-[3-(2,6-Dichloro-pyrimidin-4-ylmethyl)-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile

출처 및 근거

ORD 기록
ord-89f950c6c21b46899c95982b0b857d6a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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