Dimethyl Sulfoxide → 1-(3-tert-Butyl-5-iodo-4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione

HRID 1210874Notes

Reaction equation

HRID 1210874 reaction equation
[C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[NH:24][C:25](=[O:26])[c:27]1[n:28][cH:29][cH:30][cH:31][cH:32]1)#[N:33].[C:34]([CH3:35])([CH3:36])([CH3:37])[c:38]1[c:39]([O:46][CH3:47])[c:40]([I:45])[cH:41][c:42]([I:44])[cH:43]1.[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:60][C:61]#[N:62].[Cu:58][I:59].[K+:14].[K+:15].[K+:16].[P:9]([O-:10])([O-:11])([O-:12])=[O:13].[nH:1]1[c:2](=[O:3])[nH:4][c:5](=[O:6])[cH:7][cH:8]1>>[n:1]1(-[c:42]2[cH:41][c:40]([I:45])[c:39]([O:46][CH3:47])[c:38]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:43]2)[c:2](=[O:3])[nH:4][c:5](=[O:6])[cH:7][cH:8]1

Participants

10

Reactant 9

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation3×HCID 1061PhosphateHCID 1174UracilHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24700711N-(2-Cyanophenyl)pyridine-2-carboxamideHCID 574194401-(Tert-butyl)-3,5-diiodo-2-methoxybenzene

Product 1

HCID 574938771-(3-tert-Butyl-5-iodo-4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione

Sources & evidence

ORD record
ord-2c66cfada3974f9ca7314ca7e0bc845c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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