Acetate → HCID 10679379, compound

HRID 2339787Notes

Reaction equation

HRID 2339787 reaction equation
[CH2:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH2:8]([CH3:9])[O:10][C:11]([CH2:12][C:13]#[N:14])=[O:15].[CH3:17][C:18](=[O:19])[O-:20].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:35][C:36](=[O:37])[OH:38].[NH4+:16].[O:1]1[CH2:2][CH2:3][C:4](=[O:7])[CH2:5][CH2:6]1.[OH2:34]>>[O:1]1[CH2:2][CH2:3][C:4](=[C:12]([C:11]([O:10][CH2:8][CH3:9])=[O:15])[C:13]#[N:14])[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 962WaterHCID 1140TolueneHCID 7764Ethyl cyanoacetateHCID 8082PiperidineHCID 121599Tetrahydro-4H-pyran-4-one

Product 1

HCID 10679379HCID 10679379, compound

Sources & evidence

ORD record
ord-11e4ae336f774bd1814237bf73cf1235
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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