Diethyl Ether → 3-pentanone O-{2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorobenzoyl}oxime

HRID 684747

Reaction equation

HRID 684747 reaction equation
[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])=[N:6][OH:7].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH:32]1([N:33]=[C:34]=[N:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cl:8][c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15](-[n:19]2[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]2=[O:25])[c:16]([F:18])[cH:17]1.[N:47]1([c:48]2[cH:49][cH:50][n:51][cH:52][cH:53]2)[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])=[N:6][O:7][C:11]([c:10]1[c:9]([Cl:8])[cH:17][c:16]([F:18])[c:15](-[n:19]2[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]2=[O:25])[cH:14]1)=[O:12]

Participants

6

Reactant 5

HCID 3283Diethyl EtherHCID 10868DicyclohexylcarbodiimideHCID 755674-PyrrolidinopyridineHCID 28017453-Pentanone oximeHCID 120567892-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid

Product 1

HCID 199942333-pentanone O-{2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorobenzoyl}oxime

Sources & evidence

ORD record
ord-07c68df10cd34b85b8af4e17b0002548
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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