Acetic Acid → HCID 15485490, compound

HRID 2318627Notes

Reaction equation

HRID 2318627 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9](=[O:43])[c:10]([O:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][N:29]([CH2:32][c:33]4[n:34][c:35]5[cH:36][cH:37][cH:38][cH:39][c:40]5[cH:41][cH:42]4)[CH2:30][CH2:31]3)[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[o:12][c:13]2[cH:14][cH:15]1.[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][CH2:54][OH:55].[Na+:44].[OH:45][C:46](=[O:47])[O-:48]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[c:9](=[O:43])[c:10]([O:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][N:29]([CH2:32][c:33]4[n:34][c:35]5[cH:36][cH:37][cH:38][cH:39][c:40]5[cH:41][cH:42]4)[CH2:30][CH2:31]3)[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[o:12][c:13]2[cH:14][cH:15]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 15485488HCID 15485488, compound

Product 1

HCID 15485490HCID 15485490, compound

Sources & evidence

ORD record
ord-0617ebd563884ea5a17ecffb8113719e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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