3-(TrifluoroMethoxy)phenyl isocyanate → HCID 77223850, compound
Reaction equation
[N:23](=[C:24]=[O:25])[c:26]1[cH:27][c:28]([O:32][C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31]1.[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([C:10]([CH2:11][CH2:12][CH2:13][N:14]2[C:15](=[O:21])[CH:16]([CH3:20])[NH:17][CH2:18][CH2:19]2)=[O:22])[CH2:9]1>>[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([C:10]([CH2:11][CH2:12][CH2:13][N:14]2[C:15](=[O:21])[CH:16]([CH3:20])[N:17]([C:24]([NH:23][c:26]3[cH:27][c:28]([O:32][C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31]3)=[O:25])[CH2:18][CH2:19]2)=[O:22])[CH2:9]1Participants
3
Sources & evidence
- ORD record
- ord-ad8596bdb29c434395f6a36af800ac8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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