Acetic Acid → HCID 11196232, compound
Reaction equation
[C:10]([Li:11])([CH3:12])([CH3:13])[CH3:14].[C:48]([OH:49])(=[O:50])[CH3:51].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:15][c:16]1[n:17][cH:18][cH:19][cH:20][n:21]1.[Cl:1][c:2]1[cH:3][c:4]([Br:9])[cH:5][cH:6][c:7]1[Cl:8].[Cl:22][C:23]1=[C:34]([Cl:35])[C:32](=[O:33])[C:29]([C:30]#[N:31])=[C:26]([C:27]#[N:28])[C:24]1=[O:25].[OH2:41]>>[Cl:1][c:2]1[cH:3][c:4](-[c:18]2[n:17][c:16]([Cl:15])[n:21][cH:20][cH:19]2)[cH:5][cH:6][c:7]1[Cl:8]Participants
9
Sources & evidence
- ORD record
- ord-d92831a1dfe040be87976168bf1b1cff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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