Ethanol → Theophylline
Reaction equation
[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH2:39]([OH:40])[CH3:41].[CH3:23][n:24]1[c:25](=[O:38])[n:26]([CH3:37])[c:27]2[n:28][cH:29][n:30]([CH2:34][C:35]#[CH:36])[c:31]2[c:32]1=[O:33].[Cl:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[C:8]1=[N:22][CH2:21][c:20]2[n:15]([c:16]([CH3:17])[n:18][n:19]2)-[c:14]2[c:9]1[cH:10][c:11]([I:12])[s:13]2>>[CH3:23][n:24]1[c:25](=[O:38])[n:26]([CH3:37])[c:27]2[n:28][cH:29][nH:30][c:31]2[c:32]1=[O:33]Participants
5
Sources & evidence
- ORD record
- ord-6f34e4fd651e4c5eb1ab09be9a614209
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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