Water → 4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid 2,2-dimethyl-propyl ester

HRID 1203300Notes

Reaction equation

HRID 1203300 reaction equation
[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1.[Cl:34][C:35](=[O:36])[O:37][CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:43]>>[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][N:29]([C:35](=[O:36])[O:37][CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 33521852,2-Dimethylpropyl carbonochloridateHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 579649454-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid 2,2-dimethyl-propyl ester

Sources & evidence

ORD record
ord-d718699f80cd4d26a5871665afde89f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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