Ethyl Acetate → 1-(4-Fluorophenyl)-4-[4-(4,5-diamino-pyridin-2-yl)-1-piperazinyl]-1-butanone

HRID 668088Notes

Reaction equation

HRID 668088 reaction equation
[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[F:12][c:13]1[cH:14][cH:15][c:16]([C:19]([CH2:20][CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][cH:31][c:32]([N+:36]([O-:37])=[O:38])[c:33]([NH2:35])[cH:34]3)[CH2:27][CH2:28]2)=[O:39])[cH:17][cH:18]1.[NH2:1][c:2]1[c:3]([N+:4]([O-:5])=[O:6])[cH:7][n:8][c:9]([Cl:10])[cH:11]1>>[F:12][c:13]1[cH:14][cH:15][c:16]([C:19]([CH2:20][CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][N:26]([c:29]3[n:30][cH:31][c:32]([NH2:36])[c:33]([NH2:35])[cH:34]3)[CH2:27][CH2:28]2)=[O:39])[cH:17][cH:18]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 109100582-Chloro-5-nitropyridin-4-amineHCID 202119831-(4-Fluorophenyl)-4-[4-(4-amino-5-nitro-pyridin-2-yl)-1-piperazinyl]-1-butanone

Product 1

HCID 202119861-(4-Fluorophenyl)-4-[4-(4,5-diamino-pyridin-2-yl)-1-piperazinyl]-1-butanone

Sources & evidence

ORD record
ord-9f335a20193748219c3ac3f1328cfed8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…