1-Chloro-4-isocyanato-2-(trifluoromethyl) benzene → HCID 59725869, compound
Reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16]2-[c:17]1[cH:18][cH:19][c:20]([N+:23]([O-:24])=[O:25])[cH:21][cH:22]1)[CH3:26].[Cl:27][c:28]1[c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([N:34]=[C:35]=[O:36])[cH:32][cH:33]1>>[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16]2-[c:17]1[cH:18][cH:19][c:20]([NH:23][C:35]([NH:34][c:31]2[cH:30][c:29]([C:37]([F:38])([F:39])[F:40])[c:28]([Cl:27])[cH:33][cH:32]2)=[O:36])[cH:21][cH:22]1)[CH3:26]Participants
3
Sources & evidence
- ORD record
- ord-b0b466ec6dbb48a3bd2b3013be6987b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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