Acetic Acid → 1-methyl-3-pentyl-3,7-dihydro-1H-purine-2,6-dione
Reaction equation
[CH3:1][n:2]1[c:3](=[O:20])[n:4]([CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:5]2[n:6][cH:7][n:8]([CH2:12][CH:13]=[CH2:14])[c:9]2[c:10]1=[O:11].[CH3:28][C:29](=[O:30])[OH:31].[Cl:32][CH2:33][Cl:34].[c:21]1([SiH3:22])[cH:23][cH:24][cH:25][cH:26][cH:27]1.[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>>[CH3:1][n:2]1[c:3](=[O:20])[n:4]([CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:5]2[n:6][cH:7][nH:8][c:9]2[c:10]1=[O:11]Participants
6
Sources & evidence
- ORD record
- ord-d113212ae0694fb6bc1dc50b7266c107
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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