Hydrochloric Acid → 1-[4-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]piperazin-1-yl]-3-hydroxybutan-1-one

HRID 690753Notes

Reaction equation

HRID 690753 reaction equation
[CH2:20]([N:21]=[C:22]=[N:23][CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH3:30].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[ClH:19].[F:31][C:32]([F:33])([F:34])[C:35]([OH:36])=[O:37].[O:38]1[CH2:39][CH2:40][N:41]([c:44]2[c:45]3[n:46][c:47]([N:65]4[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]4)[n:48]([CH2:60][C:61]([F:62])([F:63])[F:64])[c:49]3[n:50][c:51](-[c:53]3[cH:54][n:55][c:56]([NH2:59])[n:57][cH:58]3)[n:52]2)[CH2:42][CH2:43]1.[OH2:8].[OH:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[CH3:7].[OH:9][c:10]1[c:11]2[n:12][n:13][nH:14][c:15]2[cH:16][cH:17][cH:18]1>>[OH:1][CH:2]([CH2:3][C:4](=[O:6])[N:68]1[CH2:67][CH2:66][N:65]([c:47]2[n:46][c:45]3[c:44]([N:41]4[CH2:40][CH2:39][O:38][CH2:43][CH2:42]4)[n:52][c:51](-[c:53]4[cH:54][n:55][c:56]([NH2:59])[n:57][cH:58]4)[n:50][c:49]3[n:48]2[CH2:60][C:61]([F:62])([F:63])[F:64])[CH2:70][CH2:69]1)[CH3:7]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 4413-Hydroxybutyric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 593336015-[6-Morpholin-4-yl-8-piperazin-1-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amineHCID 178418300HCID 178418300, compound

Product 1

HCID 722576251-[4-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]piperazin-1-yl]-3-hydroxybutan-1-one

Sources & evidence

ORD record
ord-75ac5d98d28d43be810250798b59b82e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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