3-(Trifluoromethyl)phenyl isocyanate → HCID 58659415, compound
Reaction equation
[CH3:1][NH:2][c:3]1[cH:4][c:5]([CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([NH:18][c:19]3[cH:20][cH:21][c:22]([CH3:23])[cH:24][cH:25]3)=[O:26])[cH:14][cH:15]2)[n:6][cH:7][n:8]1.[F:27][C:28]([c:29]1[cH:30][c:31]([N:35]=[C:36]=[O:37])[cH:32][cH:33][cH:34]1)([F:38])[F:39]>>[CH3:1][NH:2][c:3]1[cH:4][c:5]([CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:36]([NH:35][c:31]3[cH:30][c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33][cH:32]3)=[O:37])[cH:14][cH:15]2)[n:6][cH:7][n:8]1Participants
3
Sources & evidence
- ORD record
- ord-feeeef34db924187a5ca5b65db2761a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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