Acetic Acid → HCID 76698426, compound
Reaction equation
[CH3:1][NH:2][c:3]1[cH:4][c:5](-[c:12]2[n:13][n:14][c:15]([N:17]([CH2:18][CH:19]([CH2:20][c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[s:16]2)[cH:6][cH:7][c:8]1[N+:9]([O-:10])=[O:11].[CH3:47][C:48](=[O:49])[OH:50].[CH3:53][OH:54].[H:51][H:52].[OH2:46]>>[CH3:1][NH:2][c:3]1[cH:4][c:5](-[c:12]2[n:13][n:14][c:15]([N:17]([CH2:18][CH:19]([CH2:20][c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[s:16]2)[cH:6][cH:7][c:8]1[NH2:9]Participants
6
Sources & evidence
- ORD record
- ord-7412054cd90e444bafbf18a9eed23e4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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