1-Butanol → HCID 178463323, compound
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[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]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1.[ClH:20].[F:21][c:22]1[cH:23][n:24][c:25]([CH:28]([CH3:29])[NH2:30])[n:26][cH:27]1>>[c:2]1([NH:30][CH:28]([c:25]2[n:24][cH:23][c:22]([F:21])[cH:27][n:26]2)[CH3:29])[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]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1Participants
7
Sources & evidence
- ORD record
- ord-c01b67325d4e486199c9fa4db010de51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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