Potassium Cation → Diethyl (4-{[4-({7-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

HRID 1113530Notes

Reaction equation

HRID 1113530 reaction equation
[C:58](=[O:59])([O-:60])[O-:61].[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:36]([F:37])([F:38])[F:39])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([Br:33])[cH:31][cH:32]3)[CH2:28][N:27]([CH3:34])[C:26]4=[O:35])[n:22]2)[cH:14][cH:15]1.[CH2:68]1[O:69][CH2:70][CH2:71][O:72][CH2:73]1.[CH3:40][O:41][CH2:42][CH2:43][n:44]1[n:45][cH:46][c:47]([B:49]2[O:50][C:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[O:57]2)[cH:48]1.[Cl:64][CH2:65][Cl:66].[K+:62].[K+:63].[OH2:67]>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:36]([F:37])([F:38])[F:39])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30](-[c:47]5[cH:46][n:45][n:44]([CH2:43][CH2:42][O:41][CH3:40])[cH:48]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:34])[C:26]4=[O:35])[n:22]2)[cH:14][cH:15]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 112304911-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid, pinacol esterHCID 58292897Diethyl [4-({4-[(7-bromo-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonate

Product 1

HCID 58293052Diethyl (4-{[4-({7-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Sources & evidence

ORD record
ord-386e6e4e72dc4af0828d60d40b8d48b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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