Acetic Acid → HCID 68699510, compound
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl-:29].[K:26][C:27]#[N:28].[NH4+:30].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:25])[cH:10][c:11]([N:14]3[C:15](=[O:24])[O:16][CH:17]([CH2:19][NH:20][C:21]([CH3:22])=[O:23])[CH2:18]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[OH2:31]>>[C:2]1([C:27]#[N:28])([NH2:30])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:25])[cH:10][c:11]([N:14]3[C:15](=[O:24])[O:16][CH:17]([CH2:19][NH:20][C:21]([CH3:22])=[O:23])[CH2:18]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-821837357b944327acc361752fb20826
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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