1-Butanol → HCID 178512118, compound
Reaction equation
[CH2:27]([OH:28])[CH2:29][CH2:30][CH3:31].[Cl:2][c:3]1[c:4]([CH:5]=[N:6][NH:7][C:8]([S:9][CH3:10])=[NH:11])[c:12]([Cl:16])[cH:13][cH:14][cH:15]1.[F:17][c:18]1[c:19]([CH2:20][NH2:21])[c:22]([F:26])[cH:23][cH:24][cH:25]1.[IH:1].[OH2:32]>>[Cl:2][c:3]1[c:4]([CH:5]=[N:6][NH:7][C:8](=[NH:11])[NH:21][CH2:20][c:19]2[c:18]([F:17])[cH:25][cH:24][cH:23][c:22]2[F:26])[c:12]([Cl:16])[cH:13][cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-0a3ab81f4b08442dbf7b40db402dfe50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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