Trifluoroacetic acid → Trifluoroacetic acid

HRID 2317378Notes

Reaction equation

HRID 2317378 reaction equation
[CH2:54]([CH3:55])[NH:56][C:57]([NH:58][CH2:59][CH2:60][CH2:61][NH:62][C:63]([c:64]1[n:65][c:66]2[c:67]([n:68][cH:69][n:70]2[CH:71]2[CH2:72][CH:73]([n:74]3[cH:75][c:76]([CH2:77][OH:78])[cH:79][n:80]3)[CH:81]([OH:82])[CH:83]2[OH:84])[c:85]([NH:86][CH2:87][CH:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[n:101]1)=[O:102])=[O:103].[F:47][C:48]([C:49](=[O:50])[OH:51])([F:52])[F:53].[NH2:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:30][CH2:31][CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[CH:17]([OH:29])[CH:18]([OH:28])[CH:19]([n:21]4[n:22][cH:23][c:24]([CH2:26][OH:27])[cH:25]4)[CH2:20]3)[c:14]2[n:15]1)([CH3:45])[CH3:46]>>[F:47][C:48]([C:49](=[O:50])[OH:51])([F:52])[F:53].[NH:1]([C:2]([CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9]([NH:30][CH2:31][CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[CH:17]([OH:29])[CH:18]([OH:28])[CH:19]([n:21]4[n:22][cH:23][c:24]([CH2:26][OH:27])[cH:25]4)[CH2:20]3)[c:14]2[n:15]1)([CH3:45])[CH3:46])[C:57]([NH:56][CH2:54][CH3:55])=[O:103]

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 178457564N-(2-amino-2-methylpropyl)-9-[2,3-dihydroxy-4-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentyl]-6-(2,2-diphenylethylamino)purine-2-carboxamideHCID 178465339HCID 178465339, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178465335HCID 178465335, compound

Sources & evidence

ORD record
ord-f17bf790bd8646dbb11b4063c5b7523c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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