1-Butanol → HCID 67431834, compound
Reaction equation
[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[NH2:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[n:7]([c:8]([C:12](=[O:13])[O:14][CH3:15])[cH:9][cH:10][cH:11]2)[c:16]1-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[NH2:23][c:24]1[n:25][cH:26][n:27][c:28]([Cl:32])[c:29]1[C:30]#[N:31]>>[NH:1]([CH:2]([CH3:3])[c:4]1[n:5][c:6]2[n:7]([c:8]([C:12](=[O:13])[O:14][CH3:15])[cH:9][cH:10][cH:11]2)[c:16]1-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:28]1[n:27][cH:26][n:25][c:24]([NH2:23])[c:29]1[C:30]#[N:31]Participants
5
Sources & evidence
- ORD record
- ord-b4c7d62294cc463088d4de0e5157163f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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