Bicarbonate Ion → Acetic Acid

HRID 1227098Notes

Reaction equation

HRID 1227098 reaction equation
[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:8][n:9]1[cH:10][c:11]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:35])[c:26]4[cH:27][c:28]([N+:32](=[O:33])[O-:34])[cH:29][cH:30][c:31]34)[C:21](=[O:36])[N:20]([CH2:37][O:38][C:39](=[O:40])[CH:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[C:19]2=[O:47])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[CH3:2][C:3](=[O:4])[OH:5].[CH3:8][n:9]1[cH:10][c:11]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:35])[c:26]4[cH:27][c:28]([N+:32](=[O:33])[O-:34])[cH:29][cH:30][c:31]34)[C:21](=[O:36])[N:20]([CH2:37][O:38][C:39](=[O:40])[CH:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[C:19]2=[O:47])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12

Participants

7

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 9851176HCID 9851176, compound

Product 2

HCID 176Acetic AcidHCID 9851176HCID 9851176, compound

Sources & evidence

ORD record
ord-088a5ee149894f39a27d9f83cf884635
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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