1-Butanol → HCID 178493046, compound
Reaction equation
[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH3:12][O:13][c:14]1[cH:15][c:16]([NH:19][c:20]2[n:21][c:22]([S:30]([CH3:31])(=[O:32])=[O:33])[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[n:17][nH:18]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:1].[F:2][c:3]1[cH:4][n:5][c:6]([CH:9]([CH3:10])[NH2:11])[n:7][cH:8]1>>[F:2][c:3]1[cH:4][n:5][c:6]([CH:9]([CH3:10])[NH:11][c:22]2[n:21][c:20]([NH:19][c:16]3[cH:15][c:14]([O:13][CH3:12])[nH:18][n:17]3)[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[n:23]2)[n:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-788bc4b721a5406483dc42df17acf604
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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