3-Methylbutanal → HCID 136373885, compound
Reaction equation
[CH3:25][CH:26]([CH3:27])[CH2:28][CH:29]=[O:30].[CH3:31][N:32]([CH3:33])[C:34](=[O:35])[CH3:36].[NH2:1][n:2]1[c:3]2[c:4]([c:5]([OH:21])[c:6]([C:9]3=[N:10][S:11](=[O:19])(=[O:20])[c:12]4[c:13]([cH:15][cH:16][cH:17][cH:18]4)[NH:14]3)[c:7]1=[O:8])[s:22][cH:23][cH:24]2>>[N:1]([n:2]1[c:3]2[c:4]([c:5]([OH:21])[c:6]([C:9]3=[N:10][S:11](=[O:19])(=[O:20])[c:12]4[c:13]([cH:15][cH:16][cH:17][cH:18]4)[NH:14]3)[c:7]1=[O:8])[s:22][cH:23][cH:24]2)=[CH:29][CH2:28][CH:26]([CH3:25])[CH3:27]Participants
4
Sources & evidence
- ORD record
- ord-2f90a6cacbb34aa0b6a45ccb9214af99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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