Trifluoroacetic acid → Trifluoroacetic acid
Reaction equation
[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[F:53][C:54]([F:55])([F:56])[C:57]([OH:58])=[O:59].[NH2:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]1[n:16][c:17]([NH:38][CH2:39][CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:18]2[n:19][cH:20][n:21]([CH:24]3[CH:25]([OH:37])[CH:26]([OH:36])[CH:27]([n:29]4[n:30][cH:31][c:32]([CH2:34][OH:35])[cH:33]4)[CH2:28]3)[c:22]2[n:23]1.[OH:60][CH:61]1[CH:62]([OH:63])[CH:64]([n:65]2[cH:66][c:67]([CH3:68])[cH:69][n:70]2)[CH2:71][CH:72]1[n:73]1[cH:74][n:75][c:76]2[c:77]1[n:78][c:79]([NH:80][CH:81]1[CH2:82][CH2:83][CH:84]([NH:85][C:105](=[O:106])[NH:107][CH:108]3[CH2:109][CH2:110][N:111]([c:114]4[n:115][cH:116][cH:117][cH:118][cH:119]4)[CH2:112][CH2:113]3)[CH2:86][CH2:87]1)[n:88][c:89]2[NH:90][CH2:91][CH:92]([c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]1[n:16][c:17]([NH:38][CH2:39][CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:18]2[n:19][cH:20][n:21]([CH:24]3[CH:25]([OH:37])[CH:26]([OH:36])[CH:27]([n:29]4[n:30][cH:31][c:32]([CH2:34][OH:35])[cH:33]4)[CH2:28]3)[c:22]2[n:23]1)[C:105](=[O:106])[NH:107][CH:108]1[CH2:109][CH2:110][N:111]([c:114]2[n:115][cH:116][cH:117][cH:118][cH:119]2)[CH2:112][CH2:113]1Participants
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)urea
HCID 178511134N-(3-aminopropyl)-9-[2,3-dihydroxy-4-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentyl]-6-(2,2-diphenylethylamino)purine-2-carboxamideProduct 2
Sources & evidence
- ORD record
- ord-12f729f1b0574d60b28cd5e406e5f4e0
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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