Acetic Acid → HCID 18442469, compound

HRID 695556Notes

Reaction equation

HRID 695556 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:35][CH2:36][OH:37].[Na+:34].[O:1]=[S:2]1(=[O:32])[CH2:3][C:4]([CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:5][N:6]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:7]2[c:8]1[cH:9][cH:10][c:11]([O:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:12]2.[OH-:33]>>[O:1]=[S:2]1(=[O:32])[CH2:3][C:4]([CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:5][N:6]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:7]2[c:8]1[cH:9][cH:10][c:11]([O:13][CH2:14][C:15](=[O:16])[OH:17])[cH:12]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 22393126HCID 22393126, compound

Product 1

HCID 18442469HCID 18442469, compound

Sources & evidence

ORD record
ord-b9b2c8fa59bc4f709cd874da557e6274
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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