4-Isopropoxy-2-(trifluoromethyl)phenylboronic acid → HCID 178458225, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([N:12]3[c:13]4[c:14]([cH:15][c:16]([Br:19])[cH:17][c:18]42)[CH2:20][CH2:21]3)[CH2:22][CH2:23]1.[CH:24]([CH3:25])([CH3:26])[O:27][c:28]1[cH:29][c:30]([C:37]([F:38])([F:39])[F:40])[c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([N:12]3[c:13]4[c:14]([cH:15][c:16](-[c:31]5[c:30]([C:37]([F:38])([F:39])[F:40])[cH:29][c:28]([O:27][CH:24]([CH3:25])[CH3:26])[cH:33][cH:32]5)[cH:17][c:18]42)[CH2:20][CH2:21]3)[CH2:22][CH2:23]1Participants
3
Sources & evidence
- ORD record
- ord-5c5abc6de8c5496182fcb043ea23a999
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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