2-Tolyl isocyanate → 1-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-o-tolyl-urea
Reaction equation
[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][c:32]1[N:33]=[C:34]=[O:35].[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[c:19]([NH2:25])[cH:20][cH:21][c:22]([F:24])[cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[c:19]([NH:25][C:34]([NH:33][c:32]4[c:27]([CH3:26])[cH:28][cH:29][cH:30][cH:31]4)=[O:35])[cH:20][cH:21][c:22]([F:24])[cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
3
Sources & evidence
- ORD record
- ord-21dc1813072c4bcba8f5fd1daaac39a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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