Acetic Acid → Acetate

HRID 1130104Notes

Reaction equation

HRID 1130104 reaction equation
[C:1](=[O:2])([O-:3])[OH:4].[CH3:35][C:36]([OH:37])=[O:38].[CH3:39][OH:40].[CH3:5][N:6]([c:7]1[cH:8][cH:9][c:10]([CH:11]=[N:12][n+:13]2[c:14]([CH:29]([CH3:30])[CH3:31])[n:15]([N:18]=[CH:19][c:20]3[cH:21][cH:22][c:23]([N:26]([CH3:27])[CH3:28])[cH:24][cH:25]3)[cH:16][cH:17]2)[cH:32][cH:33]1)[CH3:34]>>[CH3:35][C:36](=[O:37])[O-:38].[CH3:5][N:6]([c:7]1[cH:8][cH:9][c:10]([CH:11]=[N:12][n:13]2[c:14]([CH:29]([CH3:30])[CH3:31])[n+:15]([N:18]=[CH:19][c:20]3[cH:21][cH:22][c:23]([N:26]([CH3:27])[CH3:28])[cH:24][cH:25]3)[cH:16][cH:17]2)[cH:32][cH:33]1)[CH3:34]

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 54181240HCID 54181240, compound

Product 2

HCID 175AcetateHCID 54181240HCID 54181240, compound

Sources & evidence

ORD record
ord-54ba380b743746c7bb08488e047764ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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