Toluene → 3-(3-Phenylpropyl)phenyl isocyanate
Reaction equation
[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Cl:17][C:18]([Cl:19])=[O:20].[c:1]1([CH2:7][CH2:8][CH2:9][c:10]2[cH:11][c:12]([NH2:13])[cH:14][cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][c:10]2[cH:11][c:12]([N:13]=[C:18]=[O:20])[cH:14][cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-62714b13a7434a8fa7a2c06743795bad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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