1-Butanol → HCID 14407122, compound
Reaction equation
[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[Cl:23][CH2:24][CH2:25][O:26][c:27]1[c:28]([O:36][CH3:37])[cH:29][c:30]([C:33]([CH3:34])=[O:35])[cH:31][cH:32]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1.[I-:45].[K+:44].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][N:13]([CH2:24][CH2:25][O:26][c:27]3[c:28]([O:36][CH3:37])[cH:29][c:30]([C:33]([CH3:34])=[O:35])[cH:31][cH:32]3)[CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-92f1d5d3036744b7afade49e86afb9ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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