Acetic Acid → HCID 13491462, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[C:4]1([NH:26][C:27]([CH3:28])=[O:29])[CH2:5][CH2:6][c:7]2[c:8]([OH:25])[c:9]3[c:18]([c:19]([OH:22])[c:20]2[CH2:21]1)[C:17](=[O:23])[c:16]1[c:11]([cH:12][cH:13][cH:14][cH:15]1)[C:10]3=[O:24].[CH3:31][C:32](=[O:33])[OH:34].[ClH:30]>>[C:1]([CH3:2])(=[O:3])[C:4]1([NH2:26])[CH2:5][CH2:6][c:7]2[c:8]([OH:25])[c:9]3[c:18]([c:19]([OH:22])[c:20]2[CH2:21]1)[C:17](=[O:23])[c:16]1[c:11]([cH:12][cH:13][cH:14][cH:15]1)[C:10]3=[O:24]Participants
4
Sources & evidence
- ORD record
- ord-238cd817d2884315b6c28c66af3e9bc1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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