Trifluoroacetic acid → Trifluoroacetic acid
Reaction equation
[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].[OH:54][CH:55]1[CH:56]([OH:57])[CH:58]([n:59]2[cH:60][c:61]([CH3:62])[cH:63][n:64]2)[CH2:65][CH:66]1[n:67]1[cH:68][n:69][c:70]2[c:71]1[n:72][c:73]([NH:74][CH:75]1[CH2:76][CH2:77][CH:78]([NH:79][C:99](=[O:100])[NH:101][CH:102]3[CH2:103][CH2:104][N:105]([c:108]4[n:109][cH:110][cH:111][cH:112][cH:113]4)[CH2:106][CH2:107]3)[CH2:80][CH2:81]1)[n:82][c:83]2[NH:84][CH2:85][CH:86]([c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[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:99](=[O:100])[NH:101][CH:102]1[CH2:103][CH2:104][N:105]([c:108]2[n:109][cH:110][cH:111][cH:112][cH:113]2)[CH2:106][CH2:107]1Participants
5
Reactant 3
HCID 6422Trifluoroacetic acid
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 178457564N-(2-amino-2-methylpropyl)-9-[2,3-dihydroxy-4-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentyl]-6-(2,2-diphenylethylamino)purine-2-carboxamideProduct 2
Sources & evidence
- ORD record
- ord-28fe54a22c1746c1ad851116cca0fc4e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…