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Dimethylformamide → 3-({4-[1-(2-cyano-1-cyclopropylethyl)-1H-pyrazol-4-yl]-5-methoxypyrimidin-2-yl}amino)-N-(tetrahydro-2H-pyran-4-yl)benzamide

HRID 1207272
Notes
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Reaction equation

HRID 1207272 reaction equation
[C:1](#[N:2])[CH2:3][CH:4]([CH:5]1[CH2:6][CH2:7]1)[n:8]1[n:9][cH:10][c:11](-[c:13]2[n:14][c:15]([NH:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30]3)[n:16][cH:17][c:18]2[O:19][CH3:20])[cH:12]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[O:31]1[CH2:32][CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][P+:47]([N:48]([CH3:49])[CH3:50])([N:51]([CH3:52])[CH3:53])[N:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:1](#[N:2])[CH2:3][CH:4]([CH:5]1[CH2:6][CH2:7]1)[n:8]1[n:9][cH:10][c:11](-[c:13]2[n:14][c:15]([NH:21][c:22]3[cH:23][c:24]([C:25](=[O:27])[NH:37][CH:34]4[CH2:33][CH2:32][O:31][CH2:36][CH2:35]4)[cH:28][cH:29][cH:30]3)[n:16][cH:17][c:18]2[O:19][CH3:20])[cH:12]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 4192234-AminotetrahydropyranHCID 687585973-({4-[1-(2-cyano-1-cyclopropylethyl)-1H-pyrazol-4-yl]-5-methoxypyrimidin-2-yl}amino)benzoic Acid

Product 1

HCID 580143853-({4-[1-(2-cyano-1-cyclopropylethyl)-1H-pyrazol-4-yl]-5-methoxypyrimidin-2-yl}amino)-N-(tetrahydro-2H-pyran-4-yl)benzamide

Sources & evidence

ORD record
ord-978b13b619814612bce1d0b92b544c52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes