Hydrochloric Acid → 6-Pentyl-6,9-dihydro-5H-tetrazolo[5,1-i]purin-5-one
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[n:4]1[cH:5][n:6][c:7]2[n:8]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:9](=[O:16])[n:10]3[c:11]([c:12]12)[n:13][n:14][n:15]3.[CH2:22]1[NH:23][CH2:24][CH2:25][O:26][CH2:27]1.[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[Cl:113][CH2:114][Cl:115].[ClH:30].[N:28]#[N:29].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[nH:4]1[cH:5][n:6][c:7]2[n:8]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:9](=[O:16])[n:10]3[c:11]([c:12]12)[n:13][n:14][n:15]3Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e929f773c0834164879deef3455313e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…