1-Butanol → HCID 178458626, compound
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([F:20])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([O:16][CH:17]([CH3:18])[CH3:19])[cH:15]2)[n:9]1.[F:30][c:31]1[cH:32][cH:33][c:34]([CH:37]([CH3:38])[NH2:39])[n:35][cH:36]1.[OH2:45]>>[c:2]1([NH:39][CH:37]([c:34]2[cH:33][cH:32][c:31]([F:30])[cH:36][n:35]2)[CH3:38])[c:3]([C:4]#[N:5])[cH:6][c:7]([F:20])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([O:16][CH:17]([CH3:18])[CH3:19])[cH:15]2)[n:9]1Participants
6
Sources & evidence
- ORD record
- ord-116704ba9ac741d2a9e5a9ca76392b6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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