HCID 178437222, compound → 3-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

HRID 289742Notes

Reaction equation

HRID 289742 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][N:10]([c:13]2[n:14][c:15]([NH:36][CH2:37][CH:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:16]3[n:17][cH:18][n:19]([CH:22]4[CH:23]([OH:35])[CH:24]([OH:34])[CH:25]([n:27]5[n:28][cH:29][c:30]([CH2:32][CH3:33])[n:31]5)[CH2:26]4)[c:20]3[n:21]2)[CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:51].[NH2:52][CH:53]1[CH2:54][CH2:55][N:56]([c:57]2[n:58][c:59]3[c:60]([n:61][cH:62][n:63]3[CH:64]3[CH2:65][CH:66]([n:67]4[cH:68][c:69]([CH2:70][CH3:71])[cH:72][n:73]4)[CH:74]([OH:75])[CH:76]3[OH:77])[c:78]([NH:79][CH2:80][CH:81]([c:82]3[cH:83][cH:84][cH:85][cH:86][cH:87]3)[c:88]3[cH:89][cH:90][cH:91][cH:92][cH:93]3)[n:94]2)[CH2:95]1>>[NH2:7][CH:8]1[CH2:9][N:10]([c:13]2[n:14][c:15]([NH:36][CH2:37][CH:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:16]3[n:17][cH:18][n:19]([CH:22]4[CH:23]([OH:35])[CH:24]([OH:34])[CH:25]([n:27]5[n:28][cH:29][c:30]([CH2:32][CH3:33])[n:31]5)[CH2:26]4)[c:20]3[n:21]2)[CH2:11][CH2:12]1

Participants

3

Reactant 2

HCID 178437222HCID 178437222, compoundHCID 178437232tert-butyl N-[1-[6-(2,2-diphenylethylamino)-9-[4-(4-ethyltriazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]carbamate

Product 1

HCID 1784372233-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

Sources & evidence

ORD record
ord-8b0eff4d9ee94d369c9e106301d6b171
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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