1-Butanol → HCID 22594099, compound
Reaction equation
[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:1][N:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([CH3:23])[c:13]([NH:14][c:15]3[n:16][cH:17][n:18][c:19]([Cl:21])[cH:20]3)[cH:22]2)[cH:24][cH:25][cH:26]1)[CH3:27].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[N:28]1([CH2:33][CH2:34][CH2:35][NH2:36])[CH2:29][CH2:30][CH2:31][CH2:32]1>>[CH3:1][N:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([CH3:23])[c:13]([NH:14][c:15]3[n:16][cH:17][n:18][c:19]([NH:36][CH2:35][CH2:34][CH2:33][N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:20]3)[cH:22]2)[cH:24][cH:25][cH:26]1)[CH3:27]Participants
5
Sources & evidence
- ORD record
- ord-e1a331588b1a49aea2c6c7dfb8d92b4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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