1-Butanol → HCID 67456777, compound
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([I:20])[c:7]([F:19])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[n:9]1.[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([CH3:29])[NH2:30])[cH:26][cH:27]1.[OH2:45]>>[c:2]1([NH:30][CH:28]([c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]2)[CH3:29])[c:3]([C:4]#[N:5])[c:6]([I:20])[c:7]([F:19])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[n:9]1Participants
6
Sources & evidence
- ORD record
- ord-3a621d13c30444a09d1b960b236b85e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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