Acetone → Ethyl 2-(((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)methyl)-2-fluorobutanoate

HRID 102344Notes

Reaction equation

HRID 102344 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][C:35](=[O:36])[CH3:37].[CH:12]1([NH:17][CH2:18][C:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])([CH2:25][CH3:26])[F:27])[CH2:13][CH2:14][CH2:15][CH2:16]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([Cl:8])[n:7]1.[K+:32].[K+:33]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([N:17]([CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:18][C:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])([CH2:25][CH3:26])[F:27])[n:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 5212662,4-Dichloro-5-nitropyrimidineHCID 57955590Ethyl 2-((cyclopentylamino)methyl)-2-fluorobutanoate

Product 1

HCID 57955624Ethyl 2-(((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)methyl)-2-fluorobutanoate

Sources & evidence

ORD record
ord-3c09efbb7d494524b028879e9924577e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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