Hexane → HCID 15486118, compound
Reaction equation
[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[n:1]1[n:2](-[c:10]2[c:11]([OH:30])[c:12]([CH:24]([CH:25]=[CH2:26])[CH2:27][CH2:28][CH3:29])[cH:13][c:14]([C:16]([CH2:17][C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1[n:2](-[c:10]2[c:11]([OH:30])[c:12]([CH:24]([CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29])[cH:13][c:14]([C:16]([CH2:17][C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23])[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
3
Sources & evidence
- ORD record
- ord-e84b5bb3441e4d1e84249b929d98345a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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