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

HRID 2160964Notes

Reaction equation

HRID 2160964 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH2:14]([CH3:15])[O:16][C:17](=[O:18])[C:19]12[CH2:20][CH2:21][C:22]([NH:27][CH2:28][C:29](=[O:30])[N:31]3[CH:32]([C:37](=[O:38])[NH2:39])[CH2:33][CH:34]([F:36])[CH2:35]3)([CH2:23][CH2:24]1)[CH2:25][CH2:26]2.[F:1][C:2]([F:3])([F:4])[C:5]([O:6][C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])=[O:13].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH2:14]([CH3:15])[O:16][C:17](=[O:18])[C:19]12[CH2:20][CH2:21][C:22]([NH:27][CH2:28][C:29](=[O:30])[N:31]3[CH:32]([C:37]#[N:39])[CH2:33][CH:34]([F:36])[CH2:35]3)([CH2:23][CH2:24]1)[CH2:25][CH2:26]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 9845Trifluoroacetic 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-85507e01f77a419284bbafb70ecc1c3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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