Hydrochloric Acid → 4-[4-(2-Fluoro-4-methanesulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

HRID 1222718Notes

Reaction equation

HRID 1222718 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:23][c:24]2[c:25]([F:34])[cH:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]2)[CH2:12][CH2:13]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:43][C:44]([O:45][CH:46]([CH3:47])[CH3:48])=[O:49].[ClH:35].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56]>>[CH:1]([CH3:2])([CH3:3])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:23][c:24]2[c:25]([F:34])[cH:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 7917Isopropyl chloroformateHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 44514402HCID 44514402, compound

Product 1

HCID 445141094-[4-(2-Fluoro-4-methanesulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

Sources & evidence

ORD record
ord-3e91c59d410b4af6963a6b24303fffb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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