Acetic Acid → HCID 12298118, compound
Reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[F:15][C:16]([c:17]1[cH:18][c:19]([NH2:23])[cH:20][cH:21][cH:22]1)([F:24])[F:25].[K:26][C:27]#[N:28].[NH4+:29].[OH-:30].[c:1]1([CH2:7][N:8]2[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][N:8]2[CH2:9][CH2:10][C:11]([NH:23][c:19]3[cH:18][c:17]([C:16]([F:15])([F:24])[F:25])[cH:22][cH:21][cH:20]3)([C:27]#[N:28])[CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-80663f385d3a4160a9c4b86d74741c4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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