Acetone → [(2-Chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amino]-acetic acid ethyl ester

HRID 168835

Reaction equation

HRID 168835 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH2:12]([CH3:13])[O:14][C:15]([CH2:16][NH:17][CH:18]([CH3:19])[CH3:20])=[O:21].[CH3:28][C:29](=[O:30])[CH3:31].[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+:26].[K+:27].[OH2:32]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([N:17]([CH2:16][C:15]([O:14][CH2:12][CH3:13])=[O:21])[CH:18]([CH3:19])[CH3:20])[n:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 351625Ethyl 2-((propan-2-yl)amino)acetateHCID 5212662,4-Dichloro-5-nitropyrimidine

Product 1

HCID 59286164[(2-Chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amino]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-e8caf37c1ea64f1bbb9fa08f6d1a8136
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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