3-(Trifluoromethyl)phenyl isocyanate → HCID 178522230, compound
Reaction equation
[F:20][C:21]([c:22]1[cH:23][c:24]([N:28]=[C:29]=[O:30])[cH:25][cH:26][cH:27]1)([F:31])[F:32].[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[n:7][cH:8][cH:9][c:10]([O:12][c:13]2[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[cH:11]1>>[n:1]1[n:2][n:3][nH:4][c:5]1-[c:6]1[n:7][cH:8][cH:9][c:10]([O:12][c:13]2[cH:14][cH:15][c:16]([NH:19][C:29]([NH:28][c:24]3[cH:23][c:22]([C:21]([F:20])([F:31])[F:32])[cH:27][cH:26][cH:25]3)=[O:30])[cH:17][cH:18]2)[cH:11]1Participants
3
Sources & evidence
- ORD record
- ord-c51abaa8a1e448be9950a46e76a72bb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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