Potassium Cation → HCID 76747528, compound

HRID 2129423Notes

Reaction equation

HRID 2129423 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:12][C:13](=[O:14])[c:15]2[n:16][c:17]([CH2:20][N:21]3[CH2:22][CH:23]([CH3:28])[O:24][CH:25]([CH3:27])[CH2:26]3)[s:18][cH:19]2)[c:5]2[cH:6][n:7][n:8]([CH3:11])[c:9]2[cH:10]1.[F:29][c:30]1[c:31]([S:37](=[O:38])(=[O:39])[NH:40][c:41]2[c:42]([O:56][CH3:57])[n:43][cH:44][c:45]([B:47]3[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]3)[cH:46]2)[cH:32][cH:33][c:34]([F:36])[cH:35]1.[K+:63].[K+:64].[K+:65].[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1.[OH2:66].[P:58]([O-:59])([O-:60])([O-:61])=[O:62]>>[c:2]1(-[c:45]2[cH:44][n:43][c:42]([O:56][CH3:57])[c:41]([NH:40][S:37]([c:31]3[c:30]([F:29])[cH:35][c:34]([F:36])[cH:33][cH:32]3)(=[O:38])=[O:39])[cH:46]2)[cH:3][c:4]([NH:12][C:13](=[O:14])[c:15]2[n:16][c:17]([CH2:20][N:21]3[CH2:22][CH:23]([CH3:28])[O:24][CH:25]([CH3:27])[CH2:26]3)[s:18][cH:19]2)[c:5]2[cH:6][n:7][n:8]([CH3:11])[c:9]2[cH:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 595647052,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamideHCID 178430443HCID 178430443, compound

Product 1

HCID 76747528HCID 76747528, compound

Sources & evidence

ORD record
ord-aedd027a0a9f43058277675ed2406b1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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