1-Butanol → HCID 178466923, compound
Reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH2:15][CH3:16])[cH:13]2)[n:7]1.[ClH:20].[NH2:21][CH:22]([CH2:23][OH:24])[c:25]1[n:26][cH:27][c:28]([F:31])[cH:29][cH:30]1>>[c:2]1([NH:21][CH:22]([CH2:23][OH:24])[c:25]2[n:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([O:14][CH2:15][CH3:16])[cH:13]2)[n:7]1Participants
7
Sources & evidence
- ORD record
- ord-002113fbe7eb45d79bf31e05b59c38ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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