N-ethyl-N-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-benzamide → HCID 86651136, compound
Reaction equation
[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)=[O:11])[CH2:12][c:13]1[c:14]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1.[CH3:32][O:33][C:34]([CH2:35][c:36]1[cH:37][c:38]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)=[O:54]>>[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)=[O:11])[CH2:12][c:13]1[c:14](-[c:38]2[cH:37][c:36]([CH2:35][C:34]([O:33][CH3:32])=[O:54])[cH:41][c:40]([C:42]([F:43])([F:44])[F:45])[cH:39]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1Participants
3
Sources & evidence
- ORD record
- ord-3f63e1b9a10649289f7e3b5bb4383763
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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