Potassium Cation → 4-(4-chlorobenzylthio)-1-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)pyrimidin-2(1H)-one

HRID 1567455Notes

Reaction equation

HRID 1567455 reaction equation
[Br:7][c:8]1[cH:9][c:10]([O:20][CH3:21])[c:11]([O:12][CH2:13][C:14]([CH3:15])([OH:16])[CH3:17])[cH:18][cH:19]1.[CH2:52]([Cl:53])[Cl:54].[CH3:1][NH:2][CH2:3][CH2:4][NH:5][CH3:6].[Cl:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][S:28][c:29]2[n:30][c:31](=[O:35])[nH:32][cH:33][cH:34]2)[cH:36][cH:37]1.[Cu:55][I:56].[K+:43].[K+:44].[K+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[P:38]([O-:39])([O-:40])([O-:41])=[O:42]>>[c:8]1(-[n:32]2[c:31](=[O:35])[n:30][c:29]([S:28][CH2:27][c:26]3[cH:25][cH:24][c:23]([Cl:22])[cH:37][cH:36]3)[cH:34][cH:33]2)[cH:9][c:10]([O:20][CH3:21])[c:11]([O:12][CH2:13][C:14]([CH3:15])([OH:16])[CH3:17])[cH:18][cH:19]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6344DichloromethaneHCID 8070N,N'-DimethylethylenediamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 595950491-(4-Bromo-2-methoxyphenoxy)-2-methylpropan-2-olHCID 1785185414-(4-chlorobenzylthio)pyrimidin-2(1H)-one

Product 1

HCID 469268044-(4-chlorobenzylthio)-1-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)pyrimidin-2(1H)-one

Sources & evidence

ORD record
ord-496f640a4bc9497aa2fac105600dc09e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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