Hexane → HCID 54469891, compound
Reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[c:9]1[CH2:10][OH:11]Participants
4
Sources & evidence
- ORD record
- ord-a5a101b4a0ab4d70ba9e89c277ebb6a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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