Phenethyl isocyanate → HCID 9846551, compound
Reaction equation
[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]=[C:10]=[O:11].[NH2:12][c:13]1[n:14][cH:15][n:16][c:17]2[cH:18][c:19]([O:25][CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[c:20]([O:23][CH3:24])[cH:21][c:22]12>>[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[NH:9][C:10](=[O:11])[NH:12][c:13]1[n:14][cH:15][n:16][c:17]2[cH:18][c:19]([O:25][CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[c:20]([O:23][CH3:24])[cH:21][c:22]12Participants
3
Sources & evidence
- ORD record
- ord-b6f9b713858744bdbe118a27dd00e7ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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