1-Butanol → HCID 178458623, compound
Reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([NH:12][c:13]2[n:14][nH:15][c:16]([O:18][CH:19]([CH3:20])[CH3:21])[cH:17]2)[n:4][c:5]([Cl:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[cH:27][cH:28]1>>[Cl:1][c:2]1[c:3]([NH:12][c:13]2[n:14][nH:15][c:16]([O:18][CH:19]([CH3:20])[CH3:21])[cH:17]2)[n:4][c:5]([NH:31][CH:29]([c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]2)[CH3:30])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-fb0dd4e2617944d9826a83068f23e69d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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