Potassium Cation → Methyl 2-([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}pyrimidin-4-yl]oxy)propionate

HRID 125280

反応式

HRID 125280 の反応式
[C:37](=[O:38])([O-:39])[O-:40].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:1][c:2]1[c:3]([OH:22])[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1.[Cl:23][c:24]1[n:25][cH:26][cH:27][c:28]([O:30][CH:31]([CH3:32])[C:33](=[O:34])[O:35][CH3:36])[n:29]1.[K+:41].[K+:42].[OH2:43]>>[Cl:1][c:2]1[c:3]([O:22][c:24]2[n:25][cH:26][cH:27][c:28]([O:30][CH:31]([CH3:32])[C:33](=[O:34])[O:35][CH3:36])[n:29]2)[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1

参加物

7

反応物 6

HCID 813Potassium Cation2 回HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedioneHCID 120567412-Chloro-4-[1-(methoxycarbonyl)ethoxy]pyrimidine

生成物 1

HCID 12056740Methyl 2-([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}pyrimidin-4-yl]oxy)propionate

出典と根拠

ORDレコード
ord-02bbc2e657bc40b59c5dcdb572622833
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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