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-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxopyridin-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:35][c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][cH:47][c:48]([N:51]3[CH2:52][CH2:53][N:54]([CH:57]4[CH2:58][O:59][CH2:60]4)[CH2:55][CH2:56]3)[cH:49][cH:50]2)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[c:24]([c:27]4[c:28]([s:29]3)[CH2:30][CH2:31][CH2:32][CH2:33]4)[CH2:25][CH2:26]2)[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[c:24]([c:27]4[c:28]([s:29]3)[CH2:30][CH2:31][CH2:32][CH2:33]4)[CH2:25][CH2:26]2)[cH:8][cH:9][cH:10][c:11]1-[c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][cH:47][c:48]([N:51]3[CH2:52][CH2:53][N:54]([CH:57]4[CH2:58][O:59][CH2:60]4)[CH2:55][CH2:56]3)[cH:49][cH:50]2)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-e35eb66cba3d4c97add4914a7e619257
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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