Carbon Dioxide → 3-[4-(4-Acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-4-bromo benzonitrile

HRID 118540Notes

Reaction equation

HRID 118540 reaction equation
[Br:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([C:11]#[N:12])[cH:9][cH:10]1.[C:13]([n:14]1[cH:15][cH:16][n:17][cH:18]1)([n:19]1[cH:20][cH:21][n:22][cH:23]1)=[O:24].[C:25](=[O:26])=[O:27].[F:28][c:29]1[cH:30][c:31]([C:41]([CH3:42])=[O:43])[cH:32][cH:33][c:34]1[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[Br:1][c:2]1[c:3]([C:4](=[O:6])[N:38]2[CH2:37][CH2:36][N:35]([c:34]3[c:29]([F:28])[cH:30][c:31]([C:41]([CH3:42])=[O:43])[cH:32][cH:33]3)[CH2:40][CH2:39]2)[cH:7][c:8]([C:11]#[N:12])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 280Carbon DioxideHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 6856101-(3-Fluoro-4-piperazin-1-ylphenyl)ethanoneHCID 532567612-Bromo-5-cyanobenzoic acid

Product 1

HCID 597935213-[4-(4-Acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-4-bromo benzonitrile

Sources & evidence

ORD record
ord-fa34d04a4d3b48deb2f74348edf960ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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