Acetic Acid → HCID 68698950, compound
Reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[NH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Na:26][C:27]#[N:28].[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>>[C:2]1([C:27]#[N:28])([NH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[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
5
Sources & evidence
- ORD record
- ord-a1d496ce74bb442c927226429e793886
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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