Acetic Acid → 2-(2-Benzyloxyphenoxy)-5-fluoro4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]aniline

HRID 2346661Notes

Reaction equation

HRID 2346661 reaction equation
[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]([O:12][c:13]2[c:14]([N+:33]([O-:34])=[O:35])[cH:15][c:16]([F:32])[c:17](-[n:19]3[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]3=[O:25])[cH:18]2)[cH:36][cH:37][cH:38][cH:39]1.[CH3:40][C:41](=[O:42])[OH:43].[Fe:44].[OH2:1]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]([O:12][c:13]2[c:14]([NH2:33])[cH:15][c:16]([F:32])[c:17](-[n:19]3[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]3=[O:25])[cH:18]2)[cH:36][cH:37][cH:38][cH:39]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 219335432-(2-Benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-nitrobenzene

Product 1

HCID 219335252-(2-Benzyloxyphenoxy)-5-fluoro4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]aniline

Sources & evidence

ORD record
ord-38443c5f51d54e7c8deb2d9d3b63e210
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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