Hydrochloric Acid → 3-{4-chloro-2-[2-chloro-2-(ethoxycarbonyl)ethyl]-6-fluoro-3-methoxyphenyl}-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione

HRID 700510

Reaction equation

HRID 700510 reaction equation
[C:25]([CH:26]=[CH2:27])(=[O:28])[O:29][CH2:30][CH3:31].[CH3:40][C:41]#[N:42].[Cl:43][Cu:44][Cl:45].[ClH:39].[N:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38].[NH2:1][c:2]1[c:3](-[n:12]2[c:13](=[O:24])[n:14]([CH3:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][c:17]2=[O:18])[c:4]([F:11])[cH:5][c:6]([Cl:10])[c:7]1[O:8][CH3:9]>>[c:2]1([CH2:27][CH:26]([C:25](=[O:28])[O:29][CH2:30][CH3:31])[Cl:39])[c:3](-[n:12]2[c:13](=[O:24])[n:14]([CH3:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][c:17]2=[O:18])[c:4]([F:11])[cH:5][c:6]([Cl:10])[c:7]1[O:8][CH3:9]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8821Ethyl AcrylateHCID 10906Tert-Butyl nitriteHCID 24014Cupric ChlorideHCID 183145373-(2-Amino-4-chloro-6fluoro-3-methoxyphenyl)-1-methyl-6-trifluoromethyl-2,4(1H, 3H)pyrimidinedione

Product 1

HCID 865859093-{4-chloro-2-[2-chloro-2-(ethoxycarbonyl)ethyl]-6-fluoro-3-methoxyphenyl}-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione

Sources & evidence

ORD record
ord-f55f72ae642f4c2a9a4b9b554e5ae80b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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