Sodium ion → (4-Trifluoromethyl-phenyl)-{4-[1-(4-Methoxy2,3-Dimethyl-phenyl)-ethyl]-piperazin-1-yl}-methanone

HRID 2144939Notes

Reaction equation

HRID 2144939 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH3:18])[c:5]([CH3:17])[c:6]([CH:9]([CH3:10])[N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[Cl:29])[cH:30][cH:31]1)([F:32])[F:33].[Na+:20].[OH-:19]>>[CH3:1][O:2][c:3]1[c:4]([CH3:18])[c:5]([CH3:17])[c:6]([CH:9]([CH3:10])[N:11]2[CH2:12][CH2:13][N:14]([C:27]([c:26]3[cH:25][cH:24][c:23]([C:22]([F:21])([F:32])[F:33])[cH:31][cH:30]3)=[O:28])[CH2:15][CH2:16]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 676074-(Trifluoromethyl)benzoyl chlorideHCID 220219311-[1-(4-Methoxy-2,3-dimethyl-phenyl)-ethyl]-piperazine

Product 1

HCID 10136921(4-Trifluoromethyl-phenyl)-{4-[1-(4-Methoxy2,3-Dimethyl-phenyl)-ethyl]-piperazin-1-yl}-methanone

Sources & evidence

ORD record
ord-a32368c9505f43789ea33340af3e8906
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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