Tetrahydrofuran → N1-[4-(4-amino-1 tetrahydro-2H-4-pyranyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-fluoro-4-trifluoromethylbenzamide

HRID 1124547Notes

Reaction equation

HRID 1124547 reaction equation
[NH2:13][c:14]1[c:15]2[c:16]([n:17][cH:18][n:19]1)[nH:20][n:21][c:22]2-[c:23]1[cH:24][c:25]([O:43][CH3:44])[c:26]([NH:29][C:30]([c:31]2[c:32]([F:41])[cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)=[O:42])[cH:27][cH:28]1.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:64]1[CH2:65][CH2:66][CH:67]([OH:70])[CH2:68][CH2:69]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[NH2:13][c:14]1[c:15]2[c:16]([n:17][cH:18][n:19]1)[n:20]([CH:67]1[CH2:66][CH2:65][O:64][CH2:69][CH2:68]1)[n:21][c:22]2-[c:23]1[cH:24][c:25]([O:43][CH3:44])[c:26]([NH:29][C:30]([c:31]2[c:32]([F:41])[cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)=[O:42])[cH:27][cH:28]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 74956Tetrahydro-4H-pyran-4-olHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 178488248HCID 178488248, compound

Product 1

HCID 20817390N1-[4-(4-amino-1 tetrahydro-2H-4-pyranyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-fluoro-4-trifluoromethylbenzamide

Sources & evidence

ORD record
ord-b1b4cc0eb5f0493cb3b173c84578cdb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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