Hydrochloric Acid → 5-{8-[4-(Methylsulfonyl)piperidin-1-yl]-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl}pyrimidin-2-amine

HRID 2140384Notes

Reaction equation

HRID 2140384 reaction equation
[CH3:2][S:3](=[O:4])(=[O:5])[CH:6]1[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH2:17][CH3:18])([CH3:19])[CH3:20].[Cl:21][c:22]1[n:23]([CH2:44][C:45]([F:46])([F:47])[F:48])[c:24]2[n:25][c:26](-[c:37]3[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]3)[n:27][c:28]([N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:29]2[n:30]1.[ClH:1]>>[CH3:2][S:3](=[O:4])(=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([c:22]2[n:23]([CH2:44][C:45]([F:46])([F:47])[F:48])[c:24]3[n:25][c:26](-[c:37]4[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]4)[n:27][c:28]([N:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[c:29]3[n:30]2)[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 222750384-(Methanesulfonyl)piperidineHCID 593335342-(2-aminopyrimidin-5-yl)-8-chloro-6-(morpholin-4-yl)-9-(2,2,2-trifluoroethyl)-9H-purine

Product 1

HCID 593336065-{8-[4-(Methylsulfonyl)piperidin-1-yl]-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl}pyrimidin-2-amine

Sources & evidence

ORD record
ord-6ac81c76a8064688807fac2dec33805f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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