1-Butanol → HCID 178430631, compound
Reaction equation
[CH2:26]([OH:27])[CH2:28][CH2:29][CH3:30].[NH2:1][c:2]1[c:3]([C:10](=[O:11])[NH:12][C:13]2=[N:14][C:15]([S:21][CH3:22])=[N:16][C:17]([CH3:19])([CH3:20])[NH:18]2)[n:4][c:5]([Cl:9])[c:6]([NH2:8])[n:7]1.[NH2:23][C:24]#[N:25]>>[NH2:1][c:2]1[c:3]([C:10](=[O:11])[NH:12][C:13]2=[N:14][C:15]([NH:25][C:24]#[N:23])=[N:16][C:17]([CH3:19])([CH3:20])[NH:18]2)[n:4][c:5]([Cl:9])[c:6]([NH2:8])[n:7]1Participants
4
Sources & evidence
- ORD record
- ord-9a46e859a55a425289b44cb2b4c9e5fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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