1-Butanol → HCID 57929960, compound
Reaction equation
[CH2:25]([OH:26])[CH2:27][CH2:28][CH3:29].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:16]3[c:17]([F:24])[cH:18][c:19]([F:23])[c:20]([F:22])[cH:21]3)[n:10][c:11]3[o:12][cH:13][cH:14][n:15]23)[n:6][n:7]1.[NH2:31][NH2:32].[OH2:30].[OH2:33]>>[c:2]1([NH:31][NH2:32])[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:16]3[c:17]([F:24])[cH:18][c:19]([F:23])[c:20]([F:22])[cH:21]3)[n:10][c:11]3[o:12][cH:13][cH:14][n:15]23)[n:6][n:7]1Participants
6
Sources & evidence
- ORD record
- ord-fbb5f92e5fcd4dc69dacd31b26e9ddb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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