1-Butanol → HCID 53482196, compound
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[F:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([n:26](-[c:32]3[cH:33][n:34][cH:35][c:36]([F:38])[cH:37]3)[c:27]([CH:29]([CH3:30])[NH2:31])[n:28]2)[cH:39]1.[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:10])[c:7]1[C:8]#[N:9]>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([NH:31][CH:29]([c:27]2[n:26](-[c:32]3[cH:33][n:34][cH:35][c:36]([F:38])[cH:37]3)[c:25]3[c:24]([cH:23][cH:22][c:21]([F:20])[cH:39]3)[n:28]2)[CH3:30])[c:7]1[C:8]#[N:9]Participants
5
Sources & evidence
- ORD record
- ord-4e0ba365f224470b85a89c357eb9fa27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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