Acetic Acid → HCID 12799415, compound
Reaction equation
[CH3:20][C:21]([OH:22])=[O:23].[CH:1]1([n:10]2[cH:11][n:12][c:13]3[c:14]([NH2:19])[n:15][cH:16][cH:17][c:18]23)[CH:2]([OH:3])[CH:4]([OH:5])[CH:6]([CH2:8][OH:9])[O:7]1.[N:24]([O-:25])=[O:26].[NH2:28][C:29](=[O:30])[NH2:31].[Na+:27].[OH2:32]>>[CH:1]1([n:10]2[cH:11][n:12][c:13]3[c:14](=[O:22])[nH:15][cH:16][cH:17][c:18]23)[CH:2]([OH:3])[CH:4]([OH:5])[CH:6]([CH2:8][OH:9])[O:7]1Participants
7
Sources & evidence
- ORD record
- ord-81247ed1aa2a4e0aae485635de2b2cea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…