Bromide ion → 1-{4-[4-(2,4-Dichlorobenzyl)piperazin-1-yl]butyl}-5-methyl-1H-pyrimidine-2,4-dione

HRID 1228681Notes

Reaction equation

HRID 1228681 reaction equation
[Br-:31].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:15][c:16]1[c:17]([CH2:18][N:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:25][cH:26][c:27]([Cl:29])[cH:28]1.[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7](=[O:14])[nH:8][c:9](=[O:13])[c:10]([CH3:12])[cH:11]1.[Na+:30]>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[c:7](=[O:14])[nH:8][c:9](=[O:13])[c:10]([CH3:12])[cH:11]1)[N:22]1[CH2:21][CH2:20][N:19]([CH2:18][c:17]2[c:16]([Cl:15])[cH:28][c:27]([Cl:29])[cH:26][cH:25]2)[CH2:24][CH2:23]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4111791-(2,4-Dichlorobenzyl)piperazineHCID 593375871-(4-chlorobutyl)-5-methylpyrimidine-2,4(1H,3H)-dione

Product 1

HCID 117188101-{4-[4-(2,4-Dichlorobenzyl)piperazin-1-yl]butyl}-5-methyl-1H-pyrimidine-2,4-dione

Sources & evidence

ORD record
ord-6e9c298e89574ee0b2027106db3fccad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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