1-Butanol → HCID 178456855, compound
Reaction equation
[Br:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][cH:9][n:10]1.[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:11][c:12]1[c:13]2[n:14][c:15](-[c:26]3[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]3)[c:16]([C:22]([CH3:23])([CH3:24])[NH2:25])[n:17][c:18]2[cH:19][cH:20][cH:21]1>>[c:2]1([NH:25][C:22]([c:16]2[c:15](-[c:26]3[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]3)[n:14][c:13]3[c:12]([Cl:11])[cH:21][cH:20][cH:19][c:18]3[n:17]2)([CH3:23])[CH3:24])[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][cH:9][n:10]1Participants
5
Sources & evidence
- ORD record
- ord-2873dfc5be4c4c9ab491f5cd4fd1722a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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