1-Butanol → HCID 86761812, compound
Reaction equation
[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH3:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[c:19](-[c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[cH:20][c:21]([Cl:25])[n+:22]([O-:24])[cH:23]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[c:19](-[c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[cH:20][c:21]([N:41]3[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]3)[n+:22]([O-:24])[cH:23]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]Participants
4
Sources & evidence
- ORD record
- ord-4eefd93aa66248279234b06e5c45fbef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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