Dimethylformamide → 4-[[4-(4-Bromo-2,6-dimethylphenyl)sulfanyl-6-[2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile

HRID 698293Notes

Reaction equation

HRID 698293 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:29])[c:5]([S:9][c:10]2[n:11][c:12]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[n:13][c:14]([CH3:19])[c:15]2[N+:16](=[O:17])[O-:18])[c:6]([CH3:8])[cH:7]1.[C:30]([O:31][CH:35]([N:32]([CH3:33])[CH3:34])[N:36]([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Br:1][c:2]1[cH:3][c:4]([CH3:29])[c:5]([S:9][c:10]2[n:11][c:12]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[n:13][c:14]([CH:19]=[CH:35][N:36]([CH3:37])[CH3:38])[c:15]2[N+:16](=[O:17])[O-:18])[c:6]([CH3:8])[cH:7]1

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 79885tert-Butoxy bis(dimethylamino)methaneHCID 577473484-(4-(4-Bromo-2,6-dimethylphenylthio)-6-methyl-5-nitropyrimidin-2-ylamino)benzonitrile

Product 1

HCID 915560024-[[4-(4-Bromo-2,6-dimethylphenyl)sulfanyl-6-[2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile

Sources & evidence

ORD record
ord-304b23ef91e9451aa1cc3647a9a0b859
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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