Acetic Acid → HCID 59401395, compound
Reaction equation
[CH3:23][C:24](=[O:25])[OH:26].[CH3:27][CH:28]([CH2:29][CH2:30][NH2:31])[CH3:32].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[O:10][c:11]1[cH:12][cH:13][c:14]([CH:21]=[O:22])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12.[Cl:33][CH2:34][Cl:35]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[O:10][c:11]1[cH:12][cH:13][c:14]([CH2:21][NH:31][CH2:30][CH2:29][CH:28]([CH3:27])[CH3:32])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12Participants
5
Sources & evidence
- ORD record
- ord-859107ae9a2f4d5ca6bc8dba07ccce22
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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