Hydrochloric Acid → 3-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-[(methoxycarbonyl)methoxycarbonylmethoxy]pyridine

HRID 89704

Reaction equation

HRID 89704 reaction equation
[C:46]([CH2:47][OH:48])(=[O:49])[O:50][CH3:51].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:13][c:14]1[c:15]([O:16][c:17]2[c:18]([O:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][cH:20][cH:21][cH:22]2)[cH:28][c:29](-[n:33]2[c:34](=[O:45])[n:35]([CH3:44])[c:36]([C:40]([F:41])([F:42])[F:43])[cH:37][c:38]2=[O:39])[c:30]([F:32])[cH:31]1.[ClH:1].[OH2:57]>>[Cl:13][c:14]1[c:15]([O:16][c:17]2[c:18]([O:23][CH2:24][C:25](=[O:26])[O:27][CH2:47][C:46](=[O:49])[O:50][CH3:51])[n:19][cH:20][cH:21][cH:22]2)[cH:28][c:29](-[n:33]2[c:34](=[O:45])[n:35]([CH3:44])[c:36]([C:40]([F:41])([F:42])[F:43])[cH:37][c:38]2=[O:39])[c:30]([F:32])[cH:31]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 66774Methyl GlycolateHCID 219335233-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-carboxymethoxypyridine

Product 1

HCID 186191713-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-[(methoxycarbonyl)methoxycarbonylmethoxy]pyridine

Sources & evidence

ORD record
ord-d52980c1a33b48959e276b3f84b64ad4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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