Potassium Cation → 5-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

HRID 155612Notes

Reaction equation

HRID 155612 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:1][N:2]([C:3](=[O:4])[N:5]1[CH2:6][CH:7]2[CH:8]([CH2:9]1)[CH2:10][C:11]([CH3:13])([NH2:14])[CH2:12]2)[CH3:15].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:16][CH2:17][C:18](=[O:19])[N:20]1[CH:21]([C:26]#[N:27])[CH2:22][CH:23]([F:25])[CH2:24]1.[Cl:39][CH2:40][Cl:41].[K+:32].[K+:33]>>[CH3:1][N:2]([C:3](=[O:4])[N:5]1[CH2:6][CH:7]2[CH:8]([CH2:9]1)[CH2:10][C:11]([CH3:13])([NH:14][CH2:17][C:18](=[O:19])[N:20]1[CH:21]([C:26]#[N:27])[CH2:22][CH:23]([F:25])[CH2:24]1)[CH2:12]2)[CH3:15]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 230753751-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrileHCID 686275765-Amino-5-methyl-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid dimethylamide

Product 1

HCID 686258095-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

Sources & evidence

ORD record
ord-4a2bd2b7f2dd4713a4a01e3e001ce11d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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