Toluene → 2-{4-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-8-yl]piperazin-1-yl}-N,N-dimethyl-2-oxoacetamide

HRID 146516Notes

Reaction equation

HRID 146516 reaction equation
[C:8]([N:12]([C:9](=[O:10])[O-:11])[c:16]1[n:17][cH:18][c:19](-[c:22]2[n:23][c:24]([N:49]3[CH2:50][CH2:51][O:52][CH2:53][CH2:54]3)[c:25]3[n:26][c:27]([N:36]4[CH2:37][CH2:38][N:39]([C:42]([C:43](=[O:44])[N:45]([CH3:46])[CH3:47])=[O:48])[CH2:40][CH2:41]4)[n:28]([CH2:31][C:32]([F:33])([F:34])[F:35])[c:29]3[n:30]2)[cH:20][n:21]1)([CH3:13])([CH3:14])[CH3:15].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[NH2:12][c:16]1[n:17][cH:18][c:19](-[c:22]2[n:23][c:24]([N:49]3[CH2:50][CH2:51][O:52][CH2:53][CH2:54]3)[c:25]3[n:26][c:27]([N:36]4[CH2:37][CH2:38][N:39]([C:42]([C:43](=[O:44])[N:45]([CH3:46])[CH3:47])=[O:48])[CH2:40][CH2:41]4)[n:28]([CH2:31][C:32]([F:33])([F:34])[F:35])[c:29]3[n:30]2)[cH:20][n:21]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 178484655HCID 178484655, compound

Product 1

HCID 593335592-{4-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-8-yl]piperazin-1-yl}-N,N-dimethyl-2-oxoacetamide

Sources & evidence

ORD record
ord-388525bc386b488cb9a6e05583567817
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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