Sodium ion → 2-(2,6-dimethylphenyl)-4-methyl-6-(3-methylpiperazin-1-yl)-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidine

HRID 1561275Notes

Reaction equation

HRID 1561275 reaction equation
[CH3:29][CH:30]1[NH:31][CH2:32][CH2:33][NH:34][CH2:35]1.[Cl:1][c:2]1[n:3][c:4](-[c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[n:5][c:6]([CH3:20])[c:7]1[CH2:8][O:9][c:10]1[c:11]([CH3:19])[cH:12][cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41]>>[c:2]1([N:34]2[CH2:33][CH2:32][NH:31][CH:30]([CH3:29])[CH2:35]2)[n:3][c:4](-[c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[n:5][c:6]([CH3:20])[c:7]1[CH2:8][O:9][c:10]1[c:11]([CH3:19])[cH:12][cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1

Participants

5

Reactant 4

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 660572-MethylpiperazineHCID 575314014-Chloro-2-(2,6-dimethylphenyl)-5-[(5-isopropyl-2-methylphenoxy)methyl]-6-methylpyrimidine

Product 1

HCID 1784249172-(2,6-dimethylphenyl)-4-methyl-6-(3-methylpiperazin-1-yl)-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidine

Sources & evidence

ORD record
ord-9737300283994a9da7cfe5538b9db9d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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