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

HRID 97095

Reaction equation

HRID 97095 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]12[CH2:7][CH2:8][C:9]([NH:14][CH2:15][C:16](=[O:17])[N:18]3[CH:19]([C:24](=[O:25])[NH2:26])[CH2:20][CH:21]([F:23])[CH2:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2.[Cl:27][C:28]([Cl:29])([Cl:30])[C:31]([O:32][C:33](=[O:34])[C:35]([Cl:36])([Cl:37])[Cl:38])=[O:39].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]12[CH2:7][CH2:8][C:9]([NH:14][CH2:15][C:16](=[O:17])[N:18]3[CH:19]([C:24]#[N:26])[CH2:20][CH:21]([F:23])[CH2:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 20079Trichloroacetic anhydrideHCID 178468402HCID 178468402, compound

Product 1

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

Sources & evidence

ORD record
ord-baa56838cde2495fb10d2f4f567e80d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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