1-Butanol → HCID 15631760, compound
Reaction equation
[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[Cl:13][CH2:14][CH2:15][CH:16]([CH2:17][O:18][c:19]1[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1)[OH:29].[I-:37].[K+:36].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N:10]([CH2:14][CH2:15][CH:16]([CH2:17][O:18][c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[OH:29])[CH2:11][CH2:12]2)[cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-5123afe7aedc41cf8d75f742c86daae3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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