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Sodium Ion → 3-[4-Chloro-5-[2-chloro-2-di(propan-2-yloxy)phosphorylethenyl]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

HRID 187533
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HRID 187533 반응식
[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:25][c:26]1[c:27]([CH:28]=[O:29])[cH:30][c:31](-[n:35]2[c:36](=[O:47])[n:37]([CH3:46])[c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][c:40]2=[O:41])[c:32]([F:34])[cH:33]1.[Cl:3][CH:4]([P:5]([O:6][CH:7]([CH3:8])[CH3:9])(=[O:10])[O:11][CH:12]([CH3:13])[CH3:14])[P:15]([O:16][CH:17]([CH3:18])[CH3:19])(=[O:20])[O:21][CH:22]([CH3:23])[CH3:24].[H-:1].[Na+:2].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:48]>>[Cl:3][C:4]([P:15]([O:16][CH:17]([CH3:18])[CH3:19])(=[O:20])[O:21][CH:22]([CH3:23])[CH3:24])=[CH:28][c:27]1[c:26]([Cl:25])[cH:33][c:32]([F:34])[c:31](-[n:35]2[c:36](=[O:47])[n:37]([CH3:46])[c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][c:40]2=[O:41])[cH:30]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 13479864TetraiSopropyl (chloromethylene)bis(phosphonate)HCID 212012522-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzaldehyde

생성물 1

HCID 570567073-[4-Chloro-5-[2-chloro-2-di(propan-2-yloxy)phosphorylethenyl]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

출처 및 근거

ORD 기록
ord-dd2062e997f54e26ae163dc94a4d64e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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