Acetate → Hydrochloric Acid

HRID 148982Notes

Reaction equation

HRID 148982 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14]2)[cH:15][cH:16]1.[CH3:35][C:36](=[O:37])[O-:38].[CH3:42][CH2:43][OH:44].[CH3:46][OH:47].[Cl-:39].[F:17][c:18]1[cH:19][cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25]1.[Na+:34].[OH2:45].[OH:40][NH3+:41].[cH:26]1[c:27]([OH:28])[cH:29][cH:30][c:31]([CH3:32])[cH:33]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([CH2:11][NH2:41])[cH:13][cH:14]2)[cH:15][cH:16]1.[ClH:39]

Participants

12

Reactant 10

HCID 175AcetateHCID 312ChlorideHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 933HydroxyammoniumHCID 962WaterHCID 2879P-CresolHCID 680234-FluorobenzaldehydeHCID 47392074-(4-Methylphenoxy)benzaldehyde

Product 2

HCID 313Hydrochloric AcidHCID 10948374-(4-Methylphenoxy)benzenemethanamine

Sources & evidence

ORD record
ord-538de04d4ff845e1b6de42bceadb302a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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