Trifluoroacetic acid → HCID 178447000, compound

HRID 669209Notes

Reaction equation

HRID 669209 reaction equation
[Br:62][CH2:63][CH2:64][CH2:65][CH:66]1[CH2:67][CH2:68][N:69]([C:72](=[O:73])[O:74][CH2:75][c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[CH2:70][CH2:71]1.[CH3:44][CH:45]([CH2:46][CH2:47][CH3:48])[O:49][c:50]1[n:51][c:52]([NH2:61])[c:53]2[n:54][c:55]([O:59][CH3:60])[nH:56][c:57]2[n:58]1.[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43].[NH2:1][c:2]1[n:3][c:4]([O:5][CH2:6][CH2:7][CH2:8][CH3:9])[n:10][c:11]2[c:12]1[n:13][c:14]([O:15][CH3:16])[n:17]2[CH2:18][CH2:19][CH2:20][CH:21]1[CH2:22][CH2:23][CH2:24][CH2:25][N:26]1[C:27]([O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36]>>[CH3:44][CH:45]([CH2:46][CH2:47][CH3:48])[O:49][c:50]1[n:51][c:52]([NH2:61])[c:53]2[n:54][c:55]([O:59][CH3:60])[n:56]([CH2:63][CH2:64][CH2:65][CH:66]3[CH2:67][CH2:68][N:69]([C:72](=[O:73])[O:74][CH2:75][c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)[CH2:70][CH2:71]3)[c:57]2[n:58]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 10980720Benzyl 4-(3-bromopropyl)piperidine-1-carboxylateHCID 58306132Phenylmethyl 2-{3-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]propyl}-1-piperidinecarboxylateHCID 1784470078-methoxy-2-pentan-2-yloxy-7H-purin-6-amine

Product 1

HCID 178447000HCID 178447000, compound

Sources & evidence

ORD record
ord-1c88bd580df446b4aa800f7b396cd90b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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