Dimethyl Sulfoxide → 1-[2-(2-Nitrophenyl)-2-oxoethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert-butyloxycarbonylamino)piperidin-1-yl]xanthine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][NH:11][CH2:12][CH2:13][CH2:14]1.[CH3:52][S:53]([CH3:54])=[O:55].[N+:15](=[O:16])([O-:17])[c:18]1[c:19]([C:24]([CH2:25][n:26]2[c:27](=[O:28])[n:29]([CH3:43])[c:30]3[n:31][c:32]([Cl:42])[n:33]([CH2:37][CH:38]=[C:39]([CH3:40])[CH3:41])[c:34]3[c:35]2=[O:36])=[O:44])[cH:20][cH:21][cH:22][cH:23]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([c:32]2[n:31][c:30]3[n:29]([CH3:43])[c:27](=[O:28])[n:26]([CH2:25][C:24]([c:19]4[c:18]([N+:15](=[O:16])[O-:17])[cH:23][cH:22][cH:21][cH:20]4)=[O:44])[c:35](=[O:36])[c:34]3[n:33]2[CH2:37][CH:38]=[C:39]([CH3:40])[CH3:41])[CH2:12][CH2:13][CH2:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-d1e6b4f7d6c044cfa7dfa6f60d2a4d5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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