Potassium Cation → 7-(2-{[2-(4-Cyanophenoxy)ethyl]methanesulfonylamino}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

HRID 2339324Notes

Reaction equation

HRID 2339324 reaction equation
[Br:1][CH2:2][CH2:3][N:4]([S:5](=[O:6])(=[O:7])[CH3:8])[CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]1.[C:20](=[O:21])([O-:22])[O-:23].[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH:35]2[CH2:36][NH:37][CH2:38][CH:39]([CH2:40]1)[O:41]2.[CH3:42][C:43]#[N:44].[K+:24].[K+:25]>>[CH2:2]([CH2:3][N:4]([S:5](=[O:6])(=[O:7])[CH3:8])[CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]1)[N:37]1[CH2:36][CH:35]2[CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:40][CH:39]([CH2:38]1)[O:41]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 185404123-Boc-9-oxa-3,7-diazabicyclo[3.3.1]nonaneHCID 69075823N-(2-Bromoethyl)-N-[2-(4-cyanophenoxy)ethyl]methanesulfonamide

Product 1

HCID 690747607-(2-{[2-(4-Cyanophenoxy)ethyl]methanesulfonylamino}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-da4ce057233b4ee3ab887b51b05aebf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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