1-Butanol → HCID 178463430, 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:1][c:2]1[n:3][cH:4][c:5]([F:17])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([N:14]([CH3:15])[CH3:16])[cH:13]2)[n:7]1.[ClH:18].[F:19][c:20]1[cH:21][n:22][c:23]([CH:26]([CH3:27])[NH2:28])[n:24][cH:25]1>>[c:2]1([NH:28][CH:26]([c:23]2[n:22][cH:21][c:20]([F:19])[cH:25][n:24]2)[CH3:27])[n:3][cH:4][c:5]([F:17])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([N:14]([CH3:15])[CH3:16])[cH:13]2)[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-5308d251bc0d4a9f88e79697476f2ffd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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