1-Pentanol → HCID 178488095, 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].[Cl:1][c:2]1[nH:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]2>>[c:2]1([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:3][c:4]2[c:5]([nH:6]1)[cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]2Participants
4
Sources & evidence
- ORD record
- ord-fed94c3cc596491db7fb5a80fb3f564d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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