4-Methylhexan-2-one → HCID 90700909, compound
Reaction equation
[CH2:16]1[O:17][CH2:18][CH2:19][CH2:20]1.[CH3:1][CH:2]([CH2:3][C:4]([CH3:5])=[O:6])[CH2:7][CH3:8].[CH3:21][CH2:22][O-:23].[CH3:25][CH2:26][O-:27].[CH3:28][CH2:29][O-:30].[CH3:31][CH2:32][O-:33].[CH3:9][C:10]([CH3:11])([CH3:12])[S:13](=[O:14])[NH2:15].[Ti+4:24]>>[CH3:1][CH:2]([CH2:3][C:4]([CH3:5])=[N:15][S:13]([C:10]([CH3:9])([CH3:11])[CH3:12])=[O:14])[CH2:7][CH3:8]Participants
6
Sources & evidence
- ORD record
- ord-02d3e0437a0d4b1296675978b8a816ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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