Acetate → HCID 178468308, compound

HRID 1543180Notes

Reaction equation

HRID 1543180 reaction equation
[CH3:19][C:20](=[O:21])[O-:22].[CH3:23][C:24](=[O:25])[CH2:26][C:27]([CH3:28])=[O:29].[CH3:30][C:31](=[O:32])[OH:33].[CH3:36][CH2:37][OH:38].[CH:1]1([c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:34].[N:14]([O-:15])=[O:16].[Na+:17].[Na+:18].[OH2:35]>>[CH:1]1([c:7]2[cH:8][cH:9][c:10]([NH:11][N:14]=[C:26]([C:24]([CH3:23])=[O:25])[C:27]([CH3:28])=[O:29])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 31261AcetylacetoneHCID 807644-Cyclohexylbenzenamine

Product 1

HCID 178468308HCID 178468308, compound

Sources & evidence

ORD record
ord-2aed38a1b250497eb4adaebb23a426bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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