Toluene → HCID 22394290, compound
Reaction equation
[C:50]([Cl:51])([Cl:52])=[O:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:39][C:40]([Cl:41])=[O:42].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([CH:23]3[CH2:24][CH2:25]3)[NH:11][c:12]3[c:13]([Br:22])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]32)[C:26](=[O:27])[O:28][CH3:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[c:43]1([CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([CH:23]3[CH2:24][CH2:25]3)[N:11]([C:40]([Cl:39])=[O:42])[c:12]3[c:13]([Br:22])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]32)[C:26](=[O:27])[O:28][CH3:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38]Participants
4
Sources & evidence
- ORD record
- ord-328c5eec78704ef3875d71a6f0342046
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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