Methanol → N-(3-fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

HRID 2317440Notes

Reaction equation

HRID 2317440 reaction equation
[CH3:78][OH:79].[Cl:74][CH2:75][Cl:76].[Cl:80][CH2:81][Cl:82].[NH2:27][c:28]1[cH:29][c:30]([F:49])[c:31]([O:32][c:33]2[cH:34][c:35]([NH:39][C:40](=[O:41])[N:42]3[CH2:43][CH2:44][CH2:45][CH2:46]3)[n:36][cH:37][n:38]2)[cH:47][cH:48]1.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:77].[OH:1][C:2]([CH2:3][n:4]1[n:5](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:6](=[O:13])[c:7]([C:10](=[O:11])[OH:12])[c:8]1[CH3:9])([CH3:20])[CH3:21].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[OH:1][C:2]([CH2:3][n:4]1[n:5](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:6](=[O:13])[c:7]([C:10](=[O:12])[NH:27][c:28]2[cH:29][c:30]([F:49])[c:31]([O:32][c:33]3[cH:34][c:35]([NH:39][C:40](=[O:41])[N:42]4[CH2:43][CH2:44][CH2:45][CH2:46]4)[n:36][cH:37][n:38]3)[cH:47][cH:48]2)[c:8]1[CH3:9])([CH3:20])[CH3:21]

Participants

9

Reactant 8

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6344Dichloromethane2×HCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 231534594-(4-Amino-2-fluorophenoxy)-6-[(pyrrolidin-1-yl)carbonylamino]pyrimidineHCID 533934301-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid

Product 1

HCID 11963221N-(3-fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-8b6f77b0bbd848aca6249d4e0b19419a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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