Hydrogen Bromide → 2-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile

HRID 1232810Notes

Reaction equation

HRID 1232810 reaction equation
[BrH:1].[C:16](=[O:17])([O-:18])[O-:19].[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[F:27][CH:28]1[CH2:29][CH:30]([C:46]#[N:47])[N:31]([C:33]([CH2:34][O:35][S:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)(=[O:43])=[O:44])=[O:45])[CH2:32]1.[K+:20].[K+:21].[NH2:2][C:3]12[CH2:4][CH2:5][C:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([CH2:7][CH2:8]1)[CH2:9][CH2:10]2.[OH2:48]>>[NH:2]([C:3]12[CH2:4][CH2:5][C:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([CH2:7][CH2:8]1)[CH2:9][CH2:10]2)[CH2:34][C:33]([N:31]1[CH:30]([C:46]#[N:47])[CH2:29][CH:28]([F:27])[CH2:32]1)=[O:45]

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 23149693Ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylateHCID 150304301[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl] benzenesulfonate

Product 1

HCID 231496942-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile

Sources & evidence

ORD record
ord-b3c15289c4d9454c88dd5511e691e45c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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