Dimethylformamide → 1,3-dimethyl-6-{4-[3-(2-cyano-4-nitroanilino)propyl]piperazin-1-yl}-2,4(1H,3H)-pyrimidinedione

HRID 98197

Reaction equation

HRID 98197 reaction equation
[CH3:1][n:2]1[c:3](=[O:20])[n:4]([CH3:19])[c:5](=[O:18])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH2:17])[CH2:12][CH2:13]1.[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:21][c:22]1[c:23]([C:24]#[N:25])[cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1>>[CH3:1][n:2]1[c:3](=[O:20])[n:4]([CH3:19])[c:5](=[O:18])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH:17][c:22]2[c:23]([C:24]#[N:25])[cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 855042-Chloro-5-nitrobenzonitrileHCID 190117511,3-dimethyl-6-[4-(3-aminopropyl)piperazin-1-yl]-2,4(1H,3H)-pyrimidinedione

Product 1

HCID 200611961,3-dimethyl-6-{4-[3-(2-cyano-4-nitroanilino)propyl]piperazin-1-yl}-2,4(1H,3H)-pyrimidinedione

Sources & evidence

ORD record
ord-71fcc079954f4530b677a47a0c2627ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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