Toluene → N-(4-isocyanato-benzyl)-2,2-dimethyl-propionamide
Reaction equation
[CH2:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[CH3:26].[CH2:34]([Cl:35])[Cl:36].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Cl:1][C:2]([Cl:3])=[O:4].[NH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:18][cH:19]1>>[C:2](=[O:4])=[N:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][C:12]([C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:18][cH:19]1Participants
6
Sources & evidence
- ORD record
- ord-576c17db67a34cc88718e8b175ebf828
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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