Acetic Acid → Ethyl 4-cyano-4-(4-fluoroanilino)piperidine-1-carboxylate

HRID 1130975Notes

Reaction equation

HRID 1130975 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[Cl:26][CH:27]([Cl:28])[Cl:29].[F:13][c:14]1[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]1.[NH4+:24].[Na:21][C:22]#[N:23].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:6][CH2:7]1.[OH-:25].[OH2:30]>>[C:2]1([NH:20][c:17]2[cH:16][cH:15][c:14]([F:13])[cH:19][cH:18]2)([C:22]#[N:23])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 6212ChloroformHCID 97314-FluoroanilineHCID 34767Ethyl 4-oxo-1-piperidinecarboxylateHCID 178511850HCID 178511850, compound

Product 1

HCID 3018977Ethyl 4-cyano-4-(4-fluoroanilino)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-b4bd670dcc9049de8307383d6c8832ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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