Acetate → HCID 178502649, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([CH:16]=[CH:17][C:18](=[NH:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:14][cH:15]2)[cH:8][cH:9]1.[CH3:33][C:34](=[O:35])[O-:36].[CH3:37][OH:38].[ClH:28].[Na+:32].[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[O:29]([CH3:30])[NH2:31]>>[C:1]([CH3:2])([c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([CH:16]=[CH:17][C:18](=[NH:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:14][cH:15]2)[cH:8][cH:9]1)=[N:31][O:29][CH3:30]Participants
8
Sources & evidence
- ORD record
- ord-5938dfd13d85478ea835a40bf099ffd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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