Acetic Acid → HCID 15327595, compound
Reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH2:23][O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])=[C:4]([CH3:31])[N:3]1[CH2:32][O:33][CH3:34].[CH3:38][C:39](=[O:40])[OH:41].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl:42][CH2:43][Cl:44].[N+:35](=[N-:36])=[CH2:37]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:37])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH2:23][O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])=[C:4]([CH3:31])[N:3]1[CH2:32][O:33][CH3:34]Participants
6
Sources & evidence
- ORD record
- ord-36cc58b4773c4865b89f00c41213df4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…