1-Butanol → HCID 25070327, compound
Reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:18][NH2:19])[c:9](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12.[Cl:29][c:30]1[n:31][cH:32][n:33][c:34]([Cl:38])[c:35]1[O:36][CH3:37]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:18][NH:19][c:34]3[n:33][cH:32][n:31][c:30]([Cl:29])[c:35]3[O:36][CH3:37])[c:9](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-65e78a5aa79546288aa0a4743ee1501c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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