Potassium Cation → 4-{3-[4-(4-Cyano-tetrahydro-pyran-4-yl)-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 202444Notes

Reaction equation

HRID 202444 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][N:34]([CH2:35][CH2:36][CH2:37][Cl:38])[CH2:39][CH2:40]1.[K+:41].[K+:42].[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([C:22]#[N:23])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O-:43][C:44]([O-:45])=[O:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([C:22]#[N:23])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 53412057tert-Butyl 4-(3-chloropropyl)piperazine-1-carboxylateHCID 598373944-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-carbonitrile

Product 1

HCID 598375064-{3-[4-(4-Cyano-tetrahydro-pyran-4-yl)-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-3c7754b1db834514af862ceb0bfea716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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