Phenyl isocyanate → JNJ 1661010
Reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH:34]([O:35][CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[O:25]=[C:26]=[N:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[c:1]1(-[c:7]2[n:8][s:9][c:10]([N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][s:9][c:10]([N:12]3[CH2:13][CH2:14][N:15]([C:26](=[O:25])[NH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-90825a4e790a43e3a5f8bbdac021f220
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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