Potassium Cation → HCID 66743216, compound

HRID 1228673Notes

Reaction equation

HRID 1228673 reaction equation
[C:32]([CH3:33])(=[O:34])[O:35][CH2:36][c:37]1[c:38](-[n:52]2[c:53](=[O:67])[c:54]3[c:55]([F:66])[cH:56][c:57]([C:62]([CH3:63])([CH3:64])[CH3:65])[cH:58][c:59]3[cH:60][n:61]2)[cH:39][cH:40][cH:41][c:42]1[B:43]1[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]1.[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH:18]4[CH2:19][N:20]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:15][n:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[K+:73].[K+:74].[K+:75].[O:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[OH2:76].[P:68]([O-:69])([O-:70])([O-:71])=[O:72]>>[c:2]1(-[c:42]2[c:37]([CH2:36][O:35][C:32]([CH3:33])=[O:34])[c:38](-[n:52]3[c:53](=[O:67])[c:54]4[c:55]([F:66])[cH:56][c:57]([C:62]([CH3:63])([CH3:64])[CH3:65])[cH:58][c:59]4[cH:60][n:61]3)[cH:39][cH:40][cH:41]2)[cH:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH:18]4[CH2:19][N:20]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:21][CH:22]3[CH2:23][CH2:24]4)[cH:15][n: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 66742734HCID 66742734, compound

Product 1

HCID 66743216HCID 66743216, compound

Sources & evidence

ORD record
ord-6bfc41e5daa24fd39dc632e18035523b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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