2-Methylhexanoic Acid → HCID 178444179, compound
Reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][CH2:8][CH3:9].[NH2:10][CH:11]([CH3:12])[C:13](=[O:14])[N:15]1[c:16]2[c:17]([c:28]([NH2:32])[cH:29][cH:30][cH:31]2)-[c:18]2[c:19]([cH:24][cH:25][cH:26][cH:27]2)[CH:20]([CH3:23])[C:21]1=[O:22]>>[CH3:1][CH:2]([C:3](=[O:4])[NH:10][CH:11]([CH3:12])[C:13](=[O:14])[N:15]1[c:16]2[c:17]([c:28]([NH2:32])[cH:29][cH:30][cH:31]2)-[c:18]2[c:19]([cH:24][cH:25][cH:26][cH:27]2)[CH:20]([CH3:23])[C:21]1=[O:22])[CH2:6][CH2:7][CH2:8][CH3:9]Participants
3
Sources & evidence
- ORD record
- ord-72658a8646744bb89e155910c960f4a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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