1-Butanol → HCID 136337141, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([S:27][CH3:28])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH2:32]([OH:33])[CH2:34][CH2:35][CH3:36].[NH2:30][NH2:31].[OH2:29]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([NH:30][NH2:31])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1Participants
5
Sources & evidence
- ORD record
- ord-ee184ea5cb464b61920cff9591e21e3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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