1-Butanol → HCID 178505394, 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](-[c:8]2[n:9][c:10]3[cH:11][c:12]([F:21])[c:13]([F:20])[cH:14][c:15]3[cH:16][c:17]2[CH2:18][NH2:19])[cH:4][cH:5][cH:6][cH:7]1.[Cl:22][c:23]1[c:24]2[nH:25][cH:26][n:27][c:28]2[n:29][cH:30][n:31]1>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]3[cH:11][c:12]([F:21])[c:13]([F:20])[cH:14][c:15]3[cH:16][c:17]2[CH2:18][NH:19][c:23]2[c:24]3[n:25][cH:26][nH:27][c:28]3[n:29][cH:30][n:31]2)[cH:4][cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-0cbe396d02164ab2a0d59e8cbce75bbb
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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