Hydrochloric Acid → (4-Difluoromethoxy-phenyl)-{4-[1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-methanone

HRID 1151997

Reaction equation

HRID 1151997 reaction equation
[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:38].[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1)[F:13].[F:39][c:40]1[c:41](-[n:50]2[n:51][cH:52][c:53]3[c:54]2[n:55][cH:56][n:57][c:58]3[O:59][CH:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:42][cH:43][c:44]([S:46](=[O:47])(=[O:48])[CH3:49])[cH:45]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:10])[N:63]2[CH2:62][CH2:61][CH:60]([O:59][c:58]3[c:53]4[cH:52][n:51][n:50](-[c:41]5[c:40]([F:39])[cH:45][c:44]([S:46](=[O:47])(=[O:48])[CH3:49])[cH:43][cH:42]5)[c:54]4[n:55][cH:56][n:57]3)[CH2:65][CH2:64]2)[cH:11][cH:12]1)[F:13]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 7373604-(Difluoromethoxy)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 218975531-(2-fluoro-4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

Product 1

HCID 21897847(4-Difluoromethoxy-phenyl)-{4-[1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-e336d97ec79140fa9c66062cf9d606d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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