Acetonitrile → [2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl] benzenesulfonate

HRID 1139707Notes

Reaction equation

HRID 1139707 reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:43][C:44]#[N:45].[F:30][C:31]([F:32])([F:33])[C:34]([O:35][C:36](=[O:37])[C:38]([F:39])([F:40])[F:41])=[O:42].[c:1]1([S:7](=[O:8])(=[O:9])[O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([C:20](=[O:21])[NH2:22])[CH2:16][CH:17]([F:19])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([C:20]#[N:22])[CH2:16][CH:17]([F:19])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9845Trifluoroacetic anhydrideHCID 174663623[2-(2-Carbamoyl-4-fluoropyrrolidin-1-yl)-2-oxoethyl] benzenesulfonate

Product 1

HCID 150304301[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl] benzenesulfonate

Sources & evidence

ORD record
ord-11b52e8d833c494f88ee039428b1ceaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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