Potassium Cation → 2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(1-methyl-5-(5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridazin-3-yl)benzyl acetate

HRID 675291Notes

Reaction equation

HRID 675291 reaction equation
[C:26]([CH3:27])(=[O:28])[O:29][CH2:30][c:31]1[c:32](-[n:46]2[c:47](=[O:61])[c:48]3[c:49]([F:60])[cH:50][c:51]([C:56]([CH3:57])([CH3:58])[CH3:59])[cH:52][c:53]3[cH:54][n:55]2)[cH:33][cH:34][cH:35][c:36]1[B:37]1[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]1.[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH:18]4[CH2:19][N:20]([CH3:25])[CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[K+:67].[K+:68].[K+:69].[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[OH2:70].[P:62]([O-:63])([O-:64])([O-:65])=[O:66]>>[c:2]1(-[c:36]2[c:31]([CH2:30][O:29][C:26]([CH3:27])=[O:28])[c:32](-[n:46]3[c:47](=[O:61])[c:48]4[c:49]([F:60])[cH:50][c:51]([C:56]([CH3:57])([CH3:58])[CH3:59])[cH:52][c:53]4[cH:54][n:55]3)[cH:33][cH:34][cH:35]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH:18]4[CH2:19][N:20]([CH3:25])[CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 594737692-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetateHCID 680624986-Chloro-2-methyl-4-[[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-pyridinyl]amino]pyridazin-3-one

Product 1

HCID 667428842-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(1-methyl-5-(5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridazin-3-yl)benzyl acetate

Sources & evidence

ORD record
ord-88ae348d604640199da1988d0e42759a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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