Potassium Cation → HCID 66742743, compound

HRID 1118241Notes

Reaction equation

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

Participants

Reactant 4

HCID 813Potassium Cation3×

HCID 1061Phosphate

HCID 594737692-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate

HCID 66742887HCID 66742887, compound

Product 1

HCID 66742743HCID 66742743, compound

Sources & evidence

ORD record: ord-0f4bcd3024d04144ae149e02bf7c6310
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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