1-[1-[6-(2,2-Diphenylethylamino)-9-[4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-pyridin-3-ylurea → HCID 178438070, compound
Reaction equation
[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:30][CH2:31][CH:32]([c:33]3[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]3)[c:40]3[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:29])[CH:18]([OH:28])[CH:19]([n:21]5[n:22][c:23]([CH2:26][CH3:27])[n:24][n:25]5)[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1.[c:47]1([CH:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH2:55][NH:56][c:57]2[n:58][c:59]([N:60]3[CH2:61][CH2:62][CH:63]([NH:64][C:71](=[O:72])[NH:73][c:74]4[cH:75][n:76][cH:77][cH:78][cH:79]4)[CH2:65]3)[n:66][c:67]3[c:68]2[n:69][cH:70][n:80]3[CH:81]2[CH2:82][CH:83]([n:84]3[n:85][n:86][c:87]([CH2:88][CH3:89])[n:90]3)[CH:91]([OH:92])[CH:93]2[OH:94])[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[NH:1]([CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:30][CH2:31][CH:32]([c:33]3[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]3)[c:40]3[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:29])[CH:18]([OH:28])[CH:19]([n:21]5[n:22][c:23]([CH2:26][CH3:27])[n:24][n:25]5)[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1)[C:71](=[O:72])[NH:73][c:74]1[cH:75][n:76][cH:77][cH:78][cH:79]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-b60fc776dffa42128821c8c8cde8e61a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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