Diethyl Ether → 3-(3,5-Difluorophenyl)propyl Isothiocyanate
Reaction equation
[CH2:24]([O:25][CH2:26][CH3:27])[CH3:28].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[Cl:20][C:21]([Cl:22])=[S:23].[F:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][CH2:11][NH2:12])[cH:5][c:6]([F:8])[cH:7]1.[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[F:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][CH2:11][N:12]=[C:21]=[S:23])[cH:5][c:6]([F:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-819400eed1e647e2a9cb962990ece676
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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