Pentane → HCID 20226917, compound
Reaction equation
[CH3:1][O:2][c:3]1[n:4][n:5][c:6]([CH:10]2[CH2:11][CH2:12][CH:13]([CH3:16])[CH2:14][CH2:15]2)[cH:7][c:8]1[CH3:9].[CH3:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH:17]1([c:18]2[n:19][n:20][c:21]([O:22][CH3:23])[c:24]([CH3:25])[c:26]2[CH3:27])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[c:33]1(-[c:34]2[n:35][n:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:1][O:2][c:3]1[n:4][n:5][c:6]([CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:7][c:8]1[CH3:9]Participants
5
Sources & evidence
- ORD record
- ord-c76e777543304067b69d9c939c5d32df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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