1-Butanol → HCID 67443296, compound
Reaction equation
[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[CH:40]([Cl:41])([Cl:42])[Cl:43].[Cl:1][c:2]1[n:3][c:4]([CH3:11])[cH:5][c:6]([N:8]([CH3:9])[CH3:10])[n:7]1.[NH2:12][CH:13]1[CH2:14][N:15]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:16][CH:17]1[OH:18].[Na+:35].[OH:36][C:37](=[O:38])[O-:39]>>[c:2]1([NH:12][CH:13]2[CH2:14][N:15]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:16][CH:17]2[OH:18])[n:3][c:4]([CH3:11])[cH:5][c:6]([N:8]([CH3:9])[CH3:10])[n:7]1Participants
8
Sources & evidence
- ORD record
- ord-35e796a85cc14643a8d7ac557d9856bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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