1-Butanol → HCID 178458605, compound
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:21]([CH3:22])([CH3:23])[O:24][c:25]1[cH:26][c:27]([NH2:30])[n:28][nH:29]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1>>[c:2]1([NH:30][c:27]2[cH:26][c:25]([O:24][CH:21]([CH3:22])[CH3:23])[nH:29][n:28]2)[cH:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-9a594bdef8a44bd58f6dfbc51ea5a1f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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