Ethanol → 2-[4-(4-amino-2-fluoro-phenyl)-piperazin-1-yl]-N,N-diethyl-2-phenyl-acetamide

HRID 1116005Notes

Reaction equation

HRID 1116005 reaction equation
[CH2:4]([CH3:5])[N:6]([C:7]([CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][N:18]([c:21]2[c:22]([F:30])[cH:23][c:24]([N+:27]([O-:28])=[O:29])[cH:25][cH:26]2)[CH2:19][CH2:20]1)=[O:31])[CH2:32][CH3:33].[CH3:1][CH2:2][OH:3].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39]>>[CH2:4]([CH3:5])[N:6]([C:7]([CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][N:18]([c:21]2[c:22]([F:30])[cH:23][c:24]([NH2:27])[cH:25][cH:26]2)[CH2:19][CH2:20]1)=[O:31])[CH2:32][CH3:33]

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 58157308N,N-diethyl-2-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]-2-phenyl-acetamide

Product 1

HCID 581573072-[4-(4-amino-2-fluoro-phenyl)-piperazin-1-yl]-N,N-diethyl-2-phenyl-acetamide

Sources & evidence

ORD record
ord-9576c69f7b86401297a75810ff4b2627
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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