Acetate → [2-(1-Methyl-5-{[5-(1-methylpiperidin-4-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][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:24]([CH3:25])(=[O:26])[O:27][CH2:28][c:29]1[c:30]([N:44]2[C:45](=[O:57])[c:46]3[c:47]([c:50]4[c:51]([s:52]3)[CH2:53][CH2:54][CH2:55][CH2:56]4)[CH2:48][CH2:49]2)[cH:31][cH:32][cH:33][c:34]1[B:35]1[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]1.[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:63][C:64]#[N:65].[Na+:62]>>[c:2]1(-[c:34]2[c:29]([CH2:28][O:27][C:24]([CH3:25])=[O:26])[c:30]([N:44]3[C:45](=[O:57])[c:46]4[c:47]([c:50]5[c:51]([s:52]4)[CH2:53][CH2:54][CH2:55][CH2:56]5)[CH2:48][CH2:49]3)[cH:31][cH:32][cH:33]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-ddb04f4c25e646699d75243d190af20b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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