Sodium ion → 2,4dihydro-4-[4-[4-(4-methoxy-phenyl)-1-piperazinyl]phenyl]-2-(2-oxopropyl)-3H-1,2,4-triazol-3-one

HRID 1133905

Reaction equation

HRID 1133905 reaction equation
[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20](-[n:23]4[c:24](=[O:28])[nH:25][n:26][cH:27]4)[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[Cl:29][CH2:30][C:31]([CH3:32])=[O:33].[H-:2].[Na+:1].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20](-[n:23]4[c:24](=[O:28])[n:25]([CH2:30][C:31]([CH3:32])=[O:33])[n:26][cH:27]4)[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6571ChloroacetoneHCID 166653HydrideHCID 42465972,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one

Product 1

HCID 224664582,4dihydro-4-[4-[4-(4-methoxy-phenyl)-1-piperazinyl]phenyl]-2-(2-oxopropyl)-3H-1,2,4-triazol-3-one

Sources & evidence

ORD record
ord-6c3b917c07354d16a129c9d96df7ccac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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