4-(Trifluoromethyl)phenyl isocyanate → HCID 58267859, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]1)([F:34])[F:35]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][c:18]([NH:19][C:32]([NH:31][c:28]4[cH:27][cH:26][c:25]([C:24]([F:23])([F:34])[F:35])[cH:30][cH:29]4)=[O:33])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]Participants
3
Sources & evidence
- ORD record
- ord-b0e385651cdf4e5dafb8d091de776676
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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