1-Chloro-4-isocyanato-2-(trifluoromethyl) benzene → HCID 58267764, 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].[Cl:23][c:24]1[c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1>>[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:31]([NH:30][c:27]4[cH:26][c:25]([C:33]([F:34])([F:35])[F:36])[c:24]([Cl:23])[cH:29][cH:28]4)=[O:32])[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-a6b8a58afce14b739af5133faa5176b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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