Acetic Acid → HCID 178465299, compound
Reaction equation
[CH2:41]([OH:42])[CH3:43].[CH2:45]([CH2:46][O:47][CH3:48])[O:49][CH3:50].[CH3:1][n:2]1[n:3][c:4](-[c:8]2[cH:9][c:10]3[n:11]([cH:12][cH:13]2)[cH:14][c:15]([NH:17][C:18](=[O:19])[NH:20][CH2:21][CH3:22])[n:16]3)[n:5][c:6]1[CH3:7].[CH3:51][C:52](=[O:53])[OH:54].[Cl:38][CH2:39][Cl:40].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:44].[n:23]1[cH:24][c:25]([B:26]([OH:27])[OH:28])[cH:29][n:30][cH:31]1>>[n:2]1[nH:3][c:4](-[c:8]2[cH:9][c:10]3[n:11]([cH:12][cH:13]2)[cH:14][c:15]([NH:17][C:18](=[O:19])[NH:20][CH2:21][CH3:22])[n:16]3)[n:5][c:6]1[CH3:7]Participants
10
Sources & evidence
- ORD record
- ord-c36c0758d6e94ee39892519a678aa2e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…