Acetic Acid → HCID 21183740, compound
Reaction equation
[CH3:26][C:27]([OH:28])=[O:29].[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH3:11])[c:8]2[cH:9][cH:10]1)[c:12](=[O:25])[n:13](-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[n:14][c:15]3[CH2:16][C:17]#[N:18].[ClH:30]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH3:11])[c:8]2[cH:9][cH:10]1)[c:12](=[O:25])[n:13](-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[n:14][c:15]3[CH2:26][C:27]([OH:28])=[O:29]Participants
4
Sources & evidence
- ORD record
- ord-e478abe75596496da54c4ee7e38c1d55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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