Potassium Cation → Acetic acid 2-{5-[5-(1-amino-1-methyl-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-6-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-benzyl ester

HRID 142467Notes

Reaction equation

HRID 142467 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][c:27]2[cH:28][n:29][n:30](-[c:37]3[c:38]([CH2:39][O:40][C:41]([CH3:42])=[O:43])[c:44]([B:48]4[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]4)[cH:45][cH:46][cH:47]3)[c:31](=[O:36])[c:32]2[c:33]([F:35])[cH:34]1.[K+:62].[K+:63].[K+:64].[NH2:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13](=[O:20])[n:14]([CH3:19])[cH:15][c:16]([Br:18])[cH:17]2)[n:9][cH:10]1.[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[OH2:71].[P:57]([O-:58])([O-:59])([O-:60])=[O:61]>>[NH2:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13](=[O:20])[n:14]([CH3:19])[cH:15][c:16](-[c:44]3[c:38]([CH2:39][O:40][C:41]([CH3:42])=[O:43])[c:37](-[n:30]4[n:29][cH:28][c:27]5[cH:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:34][c:33]([F:35])[c:32]5[c:31]4=[O:36])[cH:47][cH:46][cH:45]3)[cH:17]2)[n:9][cH:10]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 594738243-[5-(1-Amino-1-methyl-ethyl)-pyridin-2-ylamino]-5-bromo-1-methyl-1H-pyridin-2-one

Product 1

HCID 59473787Acetic acid 2-{5-[5-(1-amino-1-methyl-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-6-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-benzyl ester

Sources & evidence

ORD record
ord-6d34cd1217a84f999283e1a158118004
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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