4-(Trifluoromethyl)phenylboronic acid → HCID 66657630, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[n:8](-[c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][c:14]12.[F:34][C:35]([c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1)([F:45])[F:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[n:8](-[c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[c:9]2[cH:10][cH:11][c:12]([O:15][c:39]3[cH:38][cH:37][c:36]([C:35]([F:34])([F:45])[F:46])[cH:41][cH:40]3)[cH:13][c:14]12Participants
3
Sources & evidence
- ORD record
- ord-c2e58ff4d0214909a9b507eb015b7433
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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