1-Chloro-2-fluoro-4-isocyanato-benzene → HCID 71208573, compound
Reaction equation
[Cl:21][c:22]1[c:23]([F:31])[cH:24][c:25]([N:28]=[C:29]=[O:30])[cH:26][cH:27]1.[NH2:1][CH2:2][c:3]1[cH:4][n:5](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:6]2[cH:7][c:8]([Cl:14])[cH:9][cH:10][c:11]2[c:12]1=[O:13]>>[NH:1]([CH2:2][c:3]1[cH:4][n:5](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:6]2[cH:7][c:8]([Cl:14])[cH:9][cH:10][c:11]2[c:12]1=[O:13])[C:29]([NH:28][c:25]1[cH:24][c:23]([F:31])[c:22]([Cl:21])[cH:27][cH:26]1)=[O:30]Participants
3
Sources & evidence
- ORD record
- ord-e76c857b1ff14a2da9cee7decc1af2bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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