Toluene → HCID 22394230, compound
Reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:38][C:39]([Cl:40])=[O:41].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([CH:22]3[CH2:23][CH2:24]3)[NH:11][c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]32)[C:25](=[O:26])[O:27][CH3:28])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH:10]([CH:22]3[CH2:23][CH2:24]3)[N:11]([C:39]([Cl:38])=[O:41])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]32)[C:25](=[O:26])[O:27][CH3:28])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37]Participants
4
Sources & evidence
- ORD record
- ord-93449001cc544b0582dd3e99b6c30de1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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