Carbon Tetrachloride → 4-{[3-(Bromomethyl)-6-chloro-2-fluorophenyl]oxy}-3-fluorobenzonitrile
Reaction equation
[C:40]([Cl:41])([Cl:42])([Cl:43])[Cl:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH3:19])[c:6]([F:18])[c:7]1[O:8][c:9]1[c:10]([F:17])[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]1.[N:28]#[C:29][C:30]([N:31]=[N:32][C:33]([C:34]#[N:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39].[O:20]=[C:21]1[N:22]([Br:27])[C:23](=[O:24])[CH2:25][CH2:26]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:19][Br:27])[c:6]([F:18])[c:7]1[O:8][c:9]1[c:10]([F:17])[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-c08572d9939046e0b8b7bb2faf7b6a41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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