Trifluoroacetic acid → HCID 178446999, compound

HRID 110820Notes

Reaction equation

HRID 110820 reaction equation
[Br:62][CH2:63][CH2:64][CH:65]1[CH2:66][N:67]([C:71](=[O:72])[O:73][CH2:74][c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[CH2:68][CH2:69][CH2:70]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][CH:65]3[CH2:66][N:67]([C:71](=[O:72])[O:73][CH2:74][c:75]4[cH:76][cH:77][cH:78][cH:79][cH:80]4)[CH2:68][CH2:69][CH2:70]3)[c:57]2[n:58]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 58306132Phenylmethyl 2-{3-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]propyl}-1-piperidinecarboxylateHCID 58306150Benzyl 3-(2-bromoethyl)piperidine-1-carboxylateHCID 1784470078-methoxy-2-pentan-2-yloxy-7H-purin-6-amine

Product 1

HCID 178446999HCID 178446999, compound

Sources & evidence

ORD record
ord-dbab1130b8bd4dcd9d0b2c62a973b39e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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