Toluene → HCID 66618474, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH2:15][c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)=[O:23])[C:10](=[O:13])[O:11][CH2:12]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:40][O:41][c:42]1[c:43]([CH2:44][N:45]([C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:53][O:54][CH3:55])[cH:56][cH:57][c:58]([O:60][CH3:61])[cH:59]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:62][CH2:63][Cl:64]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH:15]([c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:53][N:45]([CH2:44][c:43]2[c:42]([O:41][CH3:40])[cH:59][c:58]([O:60][CH3:61])[cH:57][cH:56]2)[C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])=[O:23])[C:10](=[O:13])[O:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-1a733b6648ad490b8160951200d2f848
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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