N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide → HCID 178429750, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([S:26][CH2:27][CH:28]3[CH2:29][N:30]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:31][CH2:32][CH2:33]3)[cH:6][n:7]([CH2:13][C:14]3([CH2:17][O:18][Si:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:15][CH2:16]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH:41]1([NH:44][C:45]([c:46]2[cH:47][c:48]([F:62])[c:49]([CH3:61])[c:50]([B:52]3[O:53][C:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60]3)[cH:51]2)=[O:63])[CH2:42][CH2:43]1>>[c:2]1(-[c:50]2[c:49]([CH3:61])[c:48]([F:62])[cH:47][c:46]([C:45]([NH:44][CH:41]3[CH2:42][CH2:43]3)=[O:63])[cH:51]2)[cH:3][c:4]2[c:5]([S:26][CH2:27][CH:28]3[CH2:29][N:30]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:31][CH2:32][CH2:33]3)[cH:6][n:7]([CH2:13][C:14]3([CH2:17][O:18][Si:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:15][CH2:16]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1Participants
3
Sources & evidence
- ORD record
- ord-51ee147d390643feacc719bda59bdafd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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