Trifluoroacetic acid → 3-[2-(3-aminopyrrolidin-1-yl)-6-[2,2-bis(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diol

HRID 2141689Notes

Reaction equation

HRID 2141689 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][c:42]([OH:45])[cH:43][cH:44]3)[c:46]3[cH:47][cH:48][c:49]([OH:52])[cH:50][cH:51]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][c:29]([CH2:32][CH3:33])[n:30][n:31]5)[CH2:26]4)[c:20]3[n:21]2)[CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:53].[CH2:61]([O:62][C:63]([N:64]1[CH2:65][CH2:66][N:67]([CH:68]2[CH2:69][CH2:70][N:71]([c:72]3[n:73][c:74]4[c:75]([n:76][cH:77][n:78]4[CH:79]4[CH2:80][CH:81]([n:82]5[cH:83][c:84]([CH2:85][OH:86])[cH:87][n:88]5)[CH:89]([OH:90])[CH:91]4[OH:92])[c:93]([NH:94][CH2:95][CH:96]([c:97]4[cH:98][cH:99][cH:100][cH:101][cH:102]4)[c:103]4[cH:104][cH:105][cH:106][cH:107][cH:108]4)[n:109]3)[CH2:110]2)[CH2:111][CH2:112]1)=[O:113])[c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60]>>[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][c:42]([OH:45])[cH:43][cH:44]3)[c:46]3[cH:47][cH:48][c:49]([OH:52])[cH:50][cH:51]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][c:29]([CH2:32][CH3:33])[n:30][n:31]5)[CH2:26]4)[c:20]3[n:21]2)[CH2:11][CH2:12]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 178438074HCID 178438074, compoundHCID 178525152HCID 178525152, compound

Product 1

HCID 1784380693-[2-(3-aminopyrrolidin-1-yl)-6-[2,2-bis(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diol

Sources & evidence

ORD record
ord-42dbe1827bbe4e25b758ae20ecf071c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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