Acetic Acid → HCID 68788482, compound

HRID 307641Notes

Reaction equation

HRID 307641 reaction equation
[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH2:6][NH:7][CH:8]1[C:9]([CH2:23][CH3:24])([CH2:25][CH3:26])[c:10]2[cH:11][c:12]([C:20]([NH2:21])=[O:22])[cH:13][cH:14][c:15]2[CH2:16][CH:17]1[O:18][CH3:19])[CH2:27][CH:28]1[CH2:29][CH2:30][CH:31]([OH:34])[CH2:32][CH2:33]1)=[O:35].[CH3:39][OH:40].[Na+:38].[OH-:37].[OH2:36]>>[O:2]=[C:3]([CH:4]([CH2:5][CH2:6][NH:7][CH:8]1[C:9]([CH2:23][CH3:24])([CH2:25][CH3:26])[c:10]2[cH:11][c:12]([C:20]([NH2:21])=[O:22])[cH:13][cH:14][c:15]2[CH2:16][CH:17]1[O:18][CH3:19])[CH2:27][CH:28]1[CH2:29][CH2:30][CH:31]([OH:34])[CH2:32][CH2:33]1)[OH:35]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178435530HCID 178435530, compound

Product 1

HCID 68788482HCID 68788482, compound

Sources & evidence

ORD record
ord-11f942433d874fd5ab58d15c041560a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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