Potassium Cation → 7-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

HRID 2156240Notes

Reaction equation

HRID 2156240 reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([F:13])[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12]1.[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH:23]2[CH2:24][NH:25][CH2:26][CH:27]([CH2:28]1)[O:29]2.[CH3:36][C:37]#[N:38].[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35]>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([F:13])[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12]1)[N:25]1[CH2:24][CH:23]2[CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:28][CH:27]([CH2:26]1)[O:29]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 159788884-(2-Bromoethoxy)-3-fluorobenzonitrileHCID 185404123-Boc-9-oxa-3,7-diazabicyclo[3.3.1]nonane

Product 1

HCID 685190747-[2-(4-Cyano-2-fluoro-phenoxy)-ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-840c9468a54e468288f594aa9629b9af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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