Acetic Acid → HCID 16064349, compound

HRID 206565Notes

Reaction equation

HRID 206565 reaction equation
[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][CH2:43][OH:44].[Na+:37].[OH-:36].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[cH:11][c:12](-[c:31]3[cH:32][n:33][cH:34][s:35]3)[c:13]3[c:14]2[n:15][cH:16][c:17]([NH:19][C:20](=[O:21])[c:22]2[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]2)[cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[cH:11][c:12](-[c:31]2[cH:32][n:33][cH:34][s:35]2)[c:13]2[c:14]1[n:15][cH:16][c:17]([NH:19][C:20](=[O:21])[c:22]1[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]1)[cH:18]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 59128683HCID 59128683, compound

Product 1

HCID 16064349HCID 16064349, compound

Sources & evidence

ORD record
ord-6237b7399461491bab7dbc9c5df3121b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…