Dimethyl Sulfoxide → 8-Chloro-3-pentyl-3,7-dihydro-1H-purine-2,6-dione
Reaction equation
[CH2:25]1[NH:26][CH2:27][CH2:28][O:29][CH2:30]1.[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:21][S:22]([CH3:23])=[O:24].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:6](=[O:15])[nH:7][c:8](=[O:14])[c:9]2[n:10]1[CH2:11][CH:12]=[CH2:13].[Pd:42].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:6](=[O:15])[nH:7][c:8](=[O:14])[c:9]2[nH:10]1Participants
8
Sources & evidence
- ORD record
- ord-437c2dd9e5d74f6592ef0a8411417751
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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