1-Butanol → HCID 178506017, compound
Reaction equation
[CH2:31]([OH:32])[CH2:33][CH2:34][CH3:35].[CH3:29][OH:30].[CH:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH2:17][CH3:18])([CH3:19])[CH3:20].[Cl:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][c:9]([F:11])[n:10]1.[NH2:21][CH2:22][c:23]1[cH:24][cH:25][n:26][cH:27][cH:28]1>>[c:2]1([NH:21][CH2:22][c:23]2[cH:24][cH:25][n:26][cH:27][cH:28]2)[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][c:9]([F:11])[n:10]1Participants
6
Sources & evidence
- ORD record
- ord-f36005a028a8478486c2778be4c3fe81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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