Acetic Acid → HCID 14390405, compound
Reaction equation
[CH3:21][C:22]([OH:23])=[O:24].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12][cH:13][cH:14][cH:15]3)[n:16]2[CH2:17][C:18](=[O:19])[NH2:20])[cH:6][cH:7]1.[Cl:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([O:32][OH:33])=[O:34])[cH:35]1.[OH2:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n+:12]([O-:23])[cH:13][cH:14][cH:15]3)[n:16]2[CH2:17][C:18](=[O:19])[NH2:20])[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-a50fba280b37485dbffda75a21c5c207
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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