Trifluoroacetic acid → Trifluoroacetic acid

HRID 134613Notes

Reaction equation

HRID 134613 reaction equation
[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[F:56][C:57]([F:58])([F:59])[C:60]([OH:61])=[O:62].[NH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([NH:15][C:16](=[O:17])[c:18]2[n:19][c:20]([NH:41][CH2:42][CH:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:21]3[n:22][cH:23][n:24]([CH:27]4[CH:28]([OH:40])[CH:29]([OH:39])[CH:30]([n:32]5[n:33][cH:34][c:35]([CH2:37][OH:38])[cH:36]5)[CH2:31]4)[c:25]3[n:26]2)[CH2:13][CH2:14]1.[OH:63][CH:64]1[CH:65]([OH:66])[CH:67]([n:68]2[cH:69][c:70]([CH3:71])[cH:72][n:73]2)[CH2:74][CH:75]1[n:76]1[cH:77][n:78][c:79]2[c:80]1[n:81][c:82]([NH:83][CH:84]1[CH2:85][CH2:86][CH:87]([NH:88][C:108](=[O:109])[NH:110][CH:111]3[CH2:112][CH2:113][N:114]([c:117]4[n:118][cH:119][cH:120][cH:121][cH:122]4)[CH2:115][CH2:116]3)[CH2:89][CH2:90]1)[n:91][c:92]2[NH:93][CH2:94][CH:95]([c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:8]([CH:9]1[CH2:10][CH2:11][CH:12]([NH:15][C:16](=[O:17])[c:18]2[n:19][c:20]([NH:41][CH2:42][CH:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:21]3[n:22][cH:23][n:24]([CH:27]4[CH:28]([OH:40])[CH:29]([OH:39])[CH:30]([n:32]5[n:33][cH:34][c:35]([CH2:37][OH:38])[cH:36]5)[CH2:31]4)[c:25]3[n:26]2)[CH2:13][CH2:14]1)[C:108](=[O:109])[NH:110][CH:111]1[CH2:112][CH2:113][N:114]([c:117]2[n:118][cH:119][cH:120][cH:121][cH:122]2)[CH2:115][CH2:116]1

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acid2×HCID 1784309371-[4-[[9-[2,3-dihydroxy-4-(4-methylpyrazol-1-yl)cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]amino]cyclohexyl]-3-(1-pyridin-2-ylpiperidin-4-yl)ureaHCID 178507740N-(4-aminocyclohexyl)-9-[2,3-dihydroxy-4-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentyl]-6-(2,2-diphenylethylamino)purine-2-carboxamide

Product 2

HCID 6422Trifluoroacetic acidHCID 178522220HCID 178522220, compound

Sources & evidence

ORD record
ord-c22f31d87a174b99aede39bcb7d41d55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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