2-Chloro-4-isocyanato-1-(trifluoromethyl)benzene → HCID 178431778, compound
Reaction equation
[Cl:24][c:25]1[c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][cH:28][c:29]([N:31]=[C:32]=[O:33])[cH:30]1.[OH:1][CH:2]([CH2:3][N:4]1[C:5](=[O:11])[CH:6]([CH3:10])[NH:7][CH2:8][CH2:9]1)[CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH:17]([OH:23])[C:18]2([CH2:19][CH2:20]2)[CH2:21][CH2:22]1>>[OH:1][CH:2]([CH2:3][N:4]1[C:5](=[O:11])[CH:6]([CH3:10])[N:7]([C:32]([NH:31][c:29]2[cH:28][cH:27][c:26]([C:34]([F:35])([F:36])[F:37])[c:25]([Cl:24])[cH:30]2)=[O:33])[CH2:8][CH2:9]1)[CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH:17]([OH:23])[C:18]2([CH2:19][CH2:20]2)[CH2:21][CH2:22]1Participants
3
Sources & evidence
- ORD record
- ord-c95d23fde15947ddbe963501e82bd078
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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