Bicarbonate Ion → trans-6-[4-(4-Cyclobutyl-piperazine-1-carbonyl)-cyclohexyloxy]-nicotinonitrile

HRID 813408Notes

Reaction equation

HRID 813408 reaction equation
[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[CH:13]3[CH2:14][CH2:15][CH:16]([OH:19])[CH2:17][CH2:18]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[Cl:22][c:23]1[n:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]1.[H-:20].[Na+:21].[Na+:35].[O-:31][C:32]([OH:33])=[O:34]>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[CH:13]3[CH2:14][CH2:15][CH:16]([O:19][c:23]4[n:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]4)[CH2:17][CH2:18]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 31374DimethylacetamideHCID 166653HydrideHCID 51520946-Chloro-3-pyridinecarbonitrileHCID 57538854cis-(4-Cyclobutyl-piperazin-1-yl)-(4-hydroxy-cyclohexyl)-methanone

Product 1

HCID 25124684trans-6-[4-(4-Cyclobutyl-piperazine-1-carbonyl)-cyclohexyloxy]-nicotinonitrile

Sources & evidence

ORD record
ord-64d4ec07837c4489b56f4b04fcd18644
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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