Acetic Acid → HCID 13646612, compound
Reaction equation
[CH3:28][NH:29][CH3:30].[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][CH2:36][C:37](=[O:38])[OH:39].[ClH:41].[N:24]([O-:25])=[O:26].[NH2:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[NH:11][C:12](=[O:13])[NH:14][c:15]2[n:16][c:17]([CH3:23])[cH:18][c:19]([O:21][CH3:22])[n:20]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:27].[OH2:40]>>[N:1]([c:2]1[c:3]([S:8](=[O:9])(=[O:10])[NH:11][C:12](=[O:13])[NH:14][c:15]2[n:16][c:17]([CH3:23])[cH:18][c:19]([O:21][CH3:22])[n:20]2)[cH:4][cH:5][cH:6][cH:7]1)=[N:24][N:29]([CH3:28])[CH3:30]Participants
9
Sources & evidence
- ORD record
- ord-1abd619c9c5b4c8695df3e28365cf2a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…