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

HRID 110179Notes

Reaction equation

HRID 110179 reaction equation
[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:36]([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[N:42]1[CH2:43][CH2:44][CH:45]([n:48]2[n:49][cH:50][c:51]3[c:52]2[n:53][cH:54][n:55][c:56]3[Cl:57])[CH2:46][CH2:47]1.[F:1][c:2]1[cH:3][c:4]([S:5]([CH3:6])(=[O:7])=[O:8])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][n:16][c:17]2[n:18]([CH:19]3[CH2:20][CH2:21][CH:22]([c:23]4[o:24][n:25][c:26]([CH:27]([CH3:28])[CH3:29])[n:30]4)[CH2:31][CH2:32]3)[n:33][cH:34][c:35]12.[F:58][c:59]1[cH:60][c:61]([OH:69])[cH:62][cH:63][c:64]1[S:65](=[O:66])(=[O:67])[CH3:68]>>[CH:36]([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[N:42]1[CH2:43][CH2:44][CH:45]([n:48]2[n:49][cH:50][c:51]3[c:52]2[n:53][cH:54][n:55][c:56]3[O:69][c:61]2[cH:60][c:59]([F:58])[c:64]([S:65](=[O:66])(=[O:67])[CH3:68])[cH:63][cH:62]2)[CH2:46][CH2:47]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 231456203-Fluoro-4-(methylsulfonyl)phenolHCID 44514990HCID 44514990, compoundHCID 575444174-(4-Chloro-pyrazolo[3,4-d]pyrimidin-1-yl)-piperidine-1-carboxylic acid isopropyl ester

Product 1

HCID 579649334-[4-(3-Fluoro-4-methanesulfonyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

Sources & evidence

ORD record
ord-d71073def1be4ab2b228dd4d4c637c85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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