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

HRID 318945Notes

Reaction equation

HRID 318945 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[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]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([NH2:20])[CH2:12]2)[CH3:21].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:22][CH2:23][C:24](=[O:25])[N:26]1[CH:27]([C:32]#[N:33])[CH2:28][CH:29]([F:31])[CH2:30]1.[Cl:45][CH2:46][Cl:47].[K+:38].[K+:39]>>[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]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([NH:20][CH2:23][C:24](=[O:25])[N:26]1[CH:27]([C:32]#[N:33])[CH2:28][CH:29]([F:31])[CH2:30]1)[CH2:12]2)[CH3:21]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 230753751-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrileHCID 686271895-Amino-5-benzyl-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid dimethylamide

Product 1

HCID 686255795-benzyl-5-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

Sources & evidence

ORD record
ord-a9b82bbadb45480fad2332609ab395f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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