Hexane → HCID 22005054, compound
Reaction equation
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:28]([CH3:29])[CH3:30])[c:7]([CH:19]=[CH:20][c:21]2[cH:22][c:23]([CH3:27])[cH:24][cH:25][cH:26]2)[c:8](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:28]([CH3:29])[CH3:30])[c:7]([CH2:19][CH2:20][c:21]2[cH:22][c:23]([CH3:27])[cH:24][cH:25][cH:26]2)[c:8](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]Participants
4
Sources & evidence
- ORD record
- ord-80e57ba331a440aba749774d13eeb105
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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