1-Butanol → HCID 178463415, compound
Reaction equation
[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:12][c:13]1[n:14][cH:15][c:16]([Cl:28])[c:17]([NH:19][c:20]2[n:21][nH:22][c:23]([CH:25]3[CH2:26][CH2:27]3)[cH:24]2)[n:18]1.[ClH:1].[F:2][c:3]1[cH:4][n:5][c:6]([CH:9]([CH3:10])[NH2:11])[n:7][cH:8]1>>[F:2][c:3]1[cH:4][n:5][c:6]([CH:9]([CH3:10])[NH:11][c:13]2[n:14][cH:15][c:16]([Cl:28])[c:17]([NH:19][c:20]3[n:21][nH:22][c:23]([CH:25]4[CH2:26][CH2:27]4)[cH:24]3)[n:18]2)[n:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-ed45f3fc60c0498a8f79c9eed8cadce8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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