Hydrochloric Acid → Methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate

HRID 199401Notes

Reaction equation

HRID 199401 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][I:41].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([O:7][CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18](-[n:22]2[c:23](=[O:33])[nH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][c:27]2=[O:28])[c:19]([F:21])[cH:20]1.[ClH:42].[K+:38].[K+:39]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([O:7][CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18](-[n:22]2[c:23](=[O:33])[n:24]([CH3:34])[c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][c:27]2=[O:28])[c:19]([F:21])[cH:20]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 12115501Methyl [2-{2-chloro-4-fluoro-5-[2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate

Product 1

HCID 11607621Methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate

Sources & evidence

ORD record
ord-89933fa743fd42b29d64088e21c39516
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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