Acetic Acid → HCID 15045507, compound

HRID 185605Notes

Reaction equation

HRID 185605 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][S:13][c:14]2[s:15][c:16](-[c:19]3[cH:20][n:21][cH:22][cH:23][cH:24]3)[n:17][n:18]2)[n:10][cH:11]1.[CH3:25][S:26](=[O:27])([OH:28])=[O:29].[CH3:30][C:31](=[O:32])[OH:33].[Na+:34].[OH2:39].[OH:35][C:36](=[O:37])[O-:38]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][S:13]([c:14]2[s:15][c:16](-[c:19]3[cH:20][n:21][cH:22][cH:23][cH:24]3)[n:17][n:18]2)=[O:27])[n:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6395Methanesulfonic AcidHCID 15045506HCID 15045506, compound

Product 1

HCID 15045507HCID 15045507, compound

Sources & evidence

ORD record
ord-b56da195314a44ee82db9cebea311390
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…