1-Butanol → HCID 14407124, compound
Reaction equation
[CH2:49]([OH:50])[CH2:51][CH2:52][CH3:53].[Cl:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][O:29][c:30]1[c:31]([O:39][CH3:40])[cH:32][c:33]([C:36]([CH3:37])=[O:38])[cH:34][cH:35]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-:48].[K+:47].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[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][CH2:26][CH2:27][CH2:28][O:29][c:30]3[c:31]([O:39][CH3:40])[cH:32][c:33]([C:36]([CH3:37])=[O:38])[cH:34][cH:35]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-fc735b37af19488cad2c9c819ecb0aed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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