4-(Trifluoromethyl)benzyl isocyanate → HCID 86598041, compound
Reaction equation
[Cl:1][c:2]1[n:3][c:4]([CH2:13][CH3:14])[cH:5][c:6]2[c:7]([NH2:12])[cH:8][cH:9][cH:10][c:11]12.[F:15][C:16]([c:17]1[cH:18][cH:19][c:20]([CH2:21][N:22]=[C:23]=[O:24])[cH:25][cH:26]1)([F:27])[F:28]>>[Cl:1][c:2]1[n:3][c:4]([CH2:13][CH3:14])[cH:5][c:6]2[c:7]([NH:12][C:23]([NH:22][CH2:21][c:20]3[cH:19][cH:18][c:17]([C:16]([F:15])([F:27])[F:28])[cH:26][cH:25]3)=[O:24])[cH:8][cH:9][cH:10][c:11]12Participants
3
Sources & evidence
- ORD record
- ord-777d7e957b714533af01fef22ab5092a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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