Dimethylformamide → 1-(2-Fluoro-4-isothio-cyanatophenyl)-4-methylpiperazine
Reaction equation
[C:1](=[S:2])([c:3]1[nH:4][cH:5][cH:6][n:7]1)[c:8]1[nH:9][cH:10][cH:11][n:12]1.[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[F:13][c:14]1[cH:15][c:16]([NH2:27])[cH:17][cH:18][c:19]1[N:20]1[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]1>>[C:1](=[S:2])=[N:27][c:16]1[cH:15][c:14]([F:13])[c:19]([N:20]2[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]2)[cH:18][cH:17]1Participants
4
Sources & evidence
- ORD record
- ord-61d066168c6641239ab125e3e2d8cede
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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