Potassium Cation → {2-[6-(4-chloro-phenylamino)-9-methyl-9H-purin-2-yl]-5-methyl-2H-pyrazol-3-yl}-methanol

HRID 1147342Notes

Reaction equation

HRID 1147342 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][OH:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[n:11][cH:12][n:13]([CH3:32])[c:14]3[n:15][c:16](-[n:18]3[n:19][c:20]([CH3:31])[cH:21][c:22]3[CH2:23][O:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][O:30]3)[n:17]2)[cH:6][cH:7]1.[K+:49].[K+:50].[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[n:11][cH:12][n:13]([CH3:32])[c:14]3[n:15][c:16](-[n:18]3[n:19][c:20]([CH3:31])[cH:21][c:22]3[CH2:23][OH:24])[n:17]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 19660Carbonate IonHCID 59322258(4-Chloro-phenyl)-{9-methyl-2-[3-methyl-5-(tetrahydro-pyran-2-yloxymethyl)pyrazol-1-yl]-9H-purin-6-yl}-amine

Product 1

HCID 25017123{2-[6-(4-chloro-phenylamino)-9-methyl-9H-purin-2-yl]-5-methyl-2H-pyrazol-3-yl}-methanol

Sources & evidence

ORD record
ord-0333d0e3e109449bb8187361ba98b7f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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