Methanol → Acetic Acid

HRID 143279Notes

Reaction equation

HRID 143279 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH3:5])=[O:6].[CH3:46][OH:47].[CH3:7][O:8][c:9]1[cH:10][c:11]([CH2:12][CH:13]2[CH:14]([N:27]3[CH2:28][N:29]=[CH:30][CH:31]=[CH:32]3)[CH2:15][CH2:16][c:17]3[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][c:22]32)[cH:33][cH:34][c:35]1[O:36][CH3:37].[Na+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH-:38]>>[CH3:7][O:8][c:9]1[cH:10][c:11]([CH2:12][CH:13]2[CH:14]([N:27]3[CH2:28][N:29]=[CH:30][CH:31]=[CH:32]3)[CH2:15][CH2:16][c:17]3[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][c:22]32)[cH:33][cH:34][c:35]1[O:36][CH3:37].[O:3]=[C:4]([CH3:5])[OH:6]

Participants

8

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 178489646HCID 178489646, compound

Product 2

HCID 176Acetic AcidHCID 178489646HCID 178489646, compound

Sources & evidence

ORD record
ord-220a1c333cda4409b07e13b3c8f1d30f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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