Hydrochloric Acid → HCID 178472130, compound

HRID 119606Notes

Reaction equation

HRID 119606 reaction equation
[CH3:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([O:9][c:10]2[cH:11][n:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]2)[cH:8]1.[CH3:25][CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[C:32]([CH3:33])=[O:34].[CH3:38][CH2:39][OH:40].[ClH:20].[K+:36].[N:21]([O-:22])=[O:23].[Na+:24].[OH-:35].[OH2:37]>>[CH3:1][c:2]1[c:3]([NH:4][N:21]=[C:26]([CH3:25])[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:5][cH:6][c:7]([O:9][c:10]2[cH:11][n:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]2)[cH:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 701Ethyl 2-methylacetoacetateHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 66726117HCID 66726117, compound

Product 1

HCID 178472130HCID 178472130, compound

Sources & evidence

ORD record
ord-49b481e9412948ebbe4c5e6b0cf8a3a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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