Sodium ion → 5-Chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzaldehyde

HRID 312885Notes

Reaction equation

HRID 312885 reaction equation
[Cl:6][c:7]1[c:8]([O:33][CH3:34])[cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([C:19]([CH2:20][n:21]3[n:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([Cl:27])[c:25]3[CH3:26])=[O:32])[CH2:17][CH2:18]2)[cH:11][cH:12]1.[Na+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH-:35].[OH2:42].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[Cl:6][c:7]1[c:8]([O:33][CH3:34])[cH:9][c:10]([N:13]2[CH2:14][CH2:15][N:16]([C:19]([CH2:20][n:21]3[n:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([Cl:27])[c:25]3[CH3:26])=[O:32])[CH2:17][CH2:18]2)[c:11]([CH:38]=[O:37])[cH:12]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 24813Phosphorus oxychlorideHCID 210709891-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

Product 1

HCID 578401785-Chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzaldehyde

Sources & evidence

ORD record
ord-185c6c43a2b5491da16904e7254e8fa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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