Acetic Acid → HCID 18442481, compound

HRID 2338848Notes

Reaction equation

HRID 2338848 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[CH3:39][CH2:40][OH:41].[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][c:10]([O:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:11][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][c:10]([O:13][CH2:14][C:15](=[O:16])[OH:17])[cH:11][cH:12]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 18442482HCID 18442482, compound

Product 1

HCID 18442481HCID 18442481, compound

Sources & evidence

ORD record
ord-b8fe8a76dd014e9aaab793240e0e9abf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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