Acetate → HCID 73226924, compound
Reaction equation
[CH3:41][C:42](=[O:43])[O-:44].[CH3:46][CH2:47][OH:48].[Cl:4][c:5]1[c:6](-[n:11]2[n:12][c:13]([C:36]([F:37])([F:38])[F:39])[cH:14][c:15]2[C:16](=[O:17])[NH:18][c:19]2[c:20]([C:27]([C:28](=[O:29])[N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])=[O:35])[cH:21][c:22]([CH3:26])[cH:23][c:24]2[CH3:25])[n:7][cH:8][cH:9][cH:10]1.[ClH:1].[NH2:2][OH:3].[Na+:40].[OH2:45]>>[N:2]([OH:3])=[C:27]([c:20]1[c:19]([NH:18][C:16]([c:15]2[n:11](-[c:6]3[c:5]([Cl:4])[cH:10][cH:9][cH:8][n:7]3)[n:12][c:13]([C:36]([F:37])([F:38])[F:39])[cH:14]2)=[O:17])[c:24]([CH3:25])[cH:23][c:22]([CH3:26])[cH:21]1)[C:28](=[O:29])[N:30]([CH2:31][CH3:32])[CH2:33][CH3:34]Participants
8
Sources & evidence
- ORD record
- ord-3ec27add15cf436093302ee8f5715d2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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