Hexane → HCID 14296006, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10][o:11]2)[cH:12][c:13]1[O:14][C:15](=[O:16])[C:17]([CH3:18])([CH3:19])[CH3:20].[CH3:21][CH:22]([CH2:23][AlH:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH3:29].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10][o:11]2)[cH:12][c:13]1[OH:14]Participants
4
Sources & evidence
- ORD record
- ord-cd1aa5f428ec488290cac79f502f5c73
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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