Pentane → HCID 10116196, compound
Reaction equation
[CH3:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:35])([CH3:36])[O:12][c:13]3[c:14]2[c:15]([CH3:34])[c:16]([NH:21][C:22]([CH2:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)=[O:33])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:35])([CH3:36])[O:12][c:13]3[c:14]2[c:15]([CH3:34])[c:16]([NH:21][CH2:22][CH2:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-11db755466e44edd90781818a666d780
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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