Chloride → 3-(4-(4-Methylpiperazin-1-yl)phenyl)butanenitrile

HRID 1235217Notes

Reaction equation

HRID 1235217 reaction equation
[C:1](#[N:2])[CH:3]([C:4]([O:5][CH3:6])=[O:7])[CH:8]([CH3:9])[c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]2)[cH:14][cH:15]1.[CH3:25][S:26]([CH3:27])=[O:28].[Cl-:24].[Na+:23].[OH2:29]>>[C:1](#[N:2])[CH2:3][CH:8]([CH3:9])[c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]2)[cH:14][cH:15]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 962WaterHCID 67382550Methyl 2-cyano-3-(4-(4-methylpiperazin-1-yl)phenyl)butanoate

Product 1

HCID 673833103-(4-(4-Methylpiperazin-1-yl)phenyl)butanenitrile

Sources & evidence

ORD record
ord-bb95c52c252a4f45a9f8231b0d7d4c02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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