HCID 90387907, compound → HCID 122529505, compound

HRID 2021502Notes

Reaction equation

HRID 2021502 reaction equation
[CH3:1][C:2]([O:5][C:6]([n:8]1[c:17]([c:11]2[c:10](B3OC(C)(C)C(C)(C)O3)[cH:9]1)[cH:16][c:14]([F:15])[cH:13][cH:12]2)=[O:7])([CH3:4])[CH3:3].[CH3:18][O:19][C:20]([CH:22]1[c:32]([c:27]2[S:24](=[O:26])(=[O:25])[NH:23]1)[cH:31][c:30](Br)[cH:29][cH:28]2)=[O:21]>>[CH3:18][O:19][C:20]([CH:22]1[c:32]([c:27]2[S:24](=[O:26])(=[O:25])[NH:23]1)[cH:31][c:30]([c:10]3[c:11]([c:17]4[n:8]([C:6]([O:5][C:2]([CH3:4])([CH3:3])[CH3:1])=[O:7])[cH:9]3)[cH:12][cH:13][c:14]([F:15])[cH:16]4)[cH:29][cH:28]2)=[O:21]

Participants

8

Reactant 2

HCID 90387907HCID 90387907, compoundHCID 178501361HCID 178501361, compound

Product 1

HCID 122529505HCID 122529505, compound

Reagents, catalysts & solvents 5

HCID 962WaterReagentHCID 516892Sodium BicarbonateReagentHCID 60153068Dichloro-(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)palladium(II)CatalystHCID 1140TolueneSolventHCID 117669-PhenylanthraceneInternal standard

Conditions

Temperature
70 °C

Sources & evidence

ORD record
ord-4c39863f246c4574af57fcd000cc8119
Source dataset
39k HTE dataset from Pfizer
Original link
View source

Reaction notes

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