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

HRID 187370Notes

Reaction equation

HRID 187370 reaction equation
[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:40][C:41]#[N:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[F:1][CH:2]1[CH2:3][CH:4]([C:11](=[O:12])[NH2:13])[N:5]([C:7]([CH2:8][OH:9])=[O:10])[CH2:6]1.[c:30]1([S:36](=[O:37])(=[O:38])[Cl:39])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[F:1][CH:2]1[CH2:3][CH:4]([C:11](=[O:12])[NH2:13])[N:5]([C:7]([CH2:8][O:9][S:36]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)(=[O:37])=[O:38])=[O:10])[CH2:6]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 7369Benzenesulfonyl chlorideHCID 8084N,N,N',N'-Tetramethyl-1,3-diaminopropaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 575829494-Fluoro-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide

Product 1

HCID 174663623[2-(2-Carbamoyl-4-fluoropyrrolidin-1-yl)-2-oxoethyl] benzenesulfonate

Sources & evidence

ORD record
ord-b82d9b99d1ab4c5f9338d190563efa85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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