2-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Acetate → [2-(1-Methyl-5-{[5-(1-methylazetidin-3-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)-6-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl}phenyl]methyl Acetate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][N:19]([CH3:21])[CH2:20]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:22]([CH3:23])(=[O:24])[O:25][CH2:26][c:27]1[c:28]([N:42]2[C:43](=[O:55])[c:44]3[c:45]([c:48]4[c:49]([s:50]3)[CH2:51][CH2:52][CH2:53][CH2:54]4)[CH2:46][CH2:47]2)[cH:29][cH:30][cH:31][c:32]1[B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1>>[c:2]1(-[c:32]2[c:27]([CH2:26][O:25][C:22]([CH3:23])=[O:24])[c:28]([N:42]3[C:43](=[O:55])[c:44]4[c:45]([c:48]5[c:49]([s:50]4)[CH2:51][CH2:52][CH2:53][CH2:54]5)[CH2:46][CH2:47]3)[cH:29][cH:30][cH:31]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][N:19]([CH3:21])[CH2:20]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-abcbfff6479246a1b9090a24998623af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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