Acetate → TERT-BUTYL 4-(1-CYANO-2-ETHOXY-2-OXOETHYLIDENE)PIPERIDINE-1-CARBOXYLATE

HRID 112661Notes

Reaction equation

HRID 112661 reaction equation
[C:1](#[N:2])[CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8].[CH3:10][C:11](=[O:12])[O-:13].[CH3:14][C:15](=[O:16])[OH:17].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[NH4+:9].[O:18]=[C:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]1.[OH2:44].[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[C:1](#[N:2])[C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])=[C:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 241BenzeneHCID 962WaterHCID 7764Ethyl cyanoacetateHCID 8857Ethyl AcetateHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylate

Product 1

HCID 11551073TERT-BUTYL 4-(1-CYANO-2-ETHOXY-2-OXOETHYLIDENE)PIPERIDINE-1-CARBOXYLATE

Sources & evidence

ORD record
ord-c69f5474b62448e49acdfbfb9aafef56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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