Theobromine → Diethyl [4-(3,7-dimethylxanthin-1-yl)-butyl]phosphonate
Reaction equation
[CH:27]([O:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:14][CH2:15][CH2:16][CH2:17][CH2:18][P:19]([O:20][CH2:21][CH3:22])(=[O:23])[O:24][CH2:25][CH3:26].[nH:1]1[c:2](=[O:3])[n:4]([CH3:5])[c:6]2[n:7][cH:8][n:9]([CH3:10])[c:11]2[c:12]1=[O:13]>>[n:1]1([CH2:15][CH2:16][CH2:17][CH2:18][P:19]([O:20][CH2:21][CH3:22])(=[O:23])[O:24][CH2:25][CH3:26])[c:2](=[O:3])[n:4]([CH3:5])[c:6]2[n:7][cH:8][n:9]([CH3:10])[c:11]2[c:12]1=[O:13]Participants
4
Sources & evidence
- ORD record
- ord-c11aecc2a7ad4184aefae603f448be04
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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