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

HRID 1116866Notes

Reaction equation

HRID 1116866 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:2][c:3]1[c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([N+:20]([O-:21])=[O:22])[c:10]([O:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:11]2)[cH:23][c:24](-[n:28]2[c:29](=[O:40])[n:30]([CH3:39])[c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][c:33]2=[O:34])[c:25]([F:27])[cH:26]1.[Fe:51].[OH2:1]>>[Cl:2][c:3]1[c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([NH2:20])[c:10]([O:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:11]2)[cH:23][c:24](-[n:28]2[c:29](=[O:40])[n:30]([CH3:39])[c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][c:33]2=[O:34])[c:25]([F:27])[cH:26]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 186191896-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-benzyloxy-3-nitropyridine

Product 1

HCID 186191973-Amino-6-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-benzyloxypyridine

Sources & evidence

ORD record
ord-8b6df7a71b464401b56fdcf540ca671b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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