1-Pentanol → HCID 9823408, compound
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18]([c:19]1[cH:20][cH:21][c:22]([NH:25][CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:23][cH:24]1)=[O:32].[CH2:33]([OH:34])[CH2:35][CH2:36][CH2:37][CH3:38].[NH2:1][c:2]1[n:3][c:4]([Cl:12])[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[NH2:1][c:2]1[n:3][c:4]([N:29]2[CH2:28][CH2:27][CH:26]([NH:25][c:22]3[cH:21][cH:20][c:19]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:32])[cH:24][cH:23]3)[CH2:31][CH2:30]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
4
Sources & evidence
- ORD record
- ord-3d910bc5b7134a7e9f297a2316ba540a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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