Dimethyl Sulfoxide → 3-butyl-8-chloro-3,7-dihydro-1H-purine-2,6-dione
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](=[O:19])[nH:7][c:8](=[O:18])[c:9]2[n:10]([CH2:15][CH:16]=[CH2:17])[c:11]([Cl:14])[n:12][c:13]12.[CH2:20]1[NH:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH2:26]1[O:27][CH2:28][CH2:29][CH2:30]1.[CH3:31][S:32]([CH3:33])=[O:34].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](=[O:19])[nH:7][c:8](=[O:18])[c:9]2[nH:10][c:11]([Cl:14])[n:12][c:13]12Participants
6
Sources & evidence
- ORD record
- ord-4feb64875f4c4ecf97dd0f6127559073
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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