Hydrochloric Acid → Hydrochloric Acid

HRID 1220135Notes

Reaction equation

HRID 1220135 reaction equation
[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[ClH:38].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[ClH:38].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[NH2:23])=[O:31])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 538047351,1-Dimethylethyl 2-(4-(4-fluorophenyl)-1-piperazinyl)-2-oxo-1-(phenylmethyl)ethylcarbamate

Product 2

HCID 313Hydrochloric AcidHCID 158707092-Amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one

Sources & evidence

ORD record
ord-13dae86cbcd740b5a73f4c94481490a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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