Bicarbonate Ion → di-tert-butyl 2-[[3-({4-[(1-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)amino]quinazolin-7-yl}oxy)propyl](propyl)amino]ethyl phosphite

HRID 169205Notes

Reaction equation

HRID 169205 reaction equation
[C:71](=[O:72])([O-:73])[OH:74].[CH2:1]([N:2]([CH2:3][CH3:15])[P:4]([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH3:16].[CH3:76][C:77]([N:78]([CH3:79])[CH3:80])=[O:81].[F:17][c:18]1[cH:19][c:20]([NH:24][C:25]([CH2:26][n:27]2[n:28][cH:29][c:30]([NH:32][c:33]3[n:34][cH:35][n:36][c:37]4[cH:38][c:39]([O:43][CH2:44][CH2:45][CH2:46][N:47]([CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][OH:53])[cH:40][cH:41][c:42]34)[cH:31]2)=[O:54])[cH:21][cH:22][cH:23]1.[K+:75].[Na+:69].[Na+:70].[OH2:82].[OH:60][OH:61].[S:62]([S:63]([O-:64])=[O:65])([O-:66])(=[O:67])=[O:68].[nH:55]1[cH:56][n:57][n:58][n:59]1>>[P:4]([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[O:53][CH2:52][CH2:51][N:47]([CH2:46][CH2:45][CH2:44][O:43][c:39]1[cH:38][c:37]2[n:36][cH:35][n:34][c:33]([NH:32][c:30]3[cH:29][n:28][n:27]([CH2:26][C:25]([NH:24][c:20]4[cH:19][c:18]([F:17])[cH:23][cH:22][cH:21]4)=[O:54])[cH:31]3)[c:42]2[cH:41][cH:40]1)[CH2:48][CH2:49][CH3:50]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 31374DimethylacetamideHCID 159940DisulfiteHCID 4251849Di-tert-butyl diethylphosphoramiditeHCID 67259961N-(3-fluorophenyl)-2-{4-[(7-{3-[(2 hydroxyethyl)(propyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-1-yl}acetamideHCID 178418441HCID 178418441, compound

Product 1

HCID 68638976di-tert-butyl 2-[[3-({4-[(1-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)amino]quinazolin-7-yl}oxy)propyl](propyl)amino]ethyl phosphite

Sources & evidence

ORD record
ord-0ac2d046429d4240a0f81fd20312621f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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