HCID 86697000, compound → HCID 178483109, compound

HRID 2034008Notes

Reaction equation

HRID 2034008 reaction equation
[CH3:1][O:2][C:3]([c:5]1[c:11]([C@H:12]([O:14][c:15]2[c:19]([N:20]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[n:18][cH:17][c:16](Br)c2)[CH3:13])[cH:10][c:8]([F:9])[cH:7][cH:6]1)=[O:4].[CH3:35][NH:36][CH2:37][c:38]1[n:45][n:43]([CH3:44])[c:40]([C:41]#[N:42])[cH:39]1>>[CH3:35][NH:36][CH2:37][c:38]1[c:39]([c:16]2n[c:15]([O:14][C@@H:12]([c:11]3[c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:6][cH:7][c:8]([F:9])[cH:10]3)[CH3:13])[c:19]([N:20]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[n:18][cH:17]2)[c:40]([C:41]#[N:42])[n:43]([CH3:44])[n:45]1

Participants

8

Reactant 2

HCID 86697000HCID 86697000, compoundHCID 89816694HCID 89816694, compound

Product 1

HCID 178483109HCID 178483109, compound

Reagents, catalysts & solvents 5

HCID 517044Potassium AcetateReagentHCID 167845palladium(II) acetateCatalystHCID 178454858HCID 178454858, compoundCatalystHCID 64052-Methyl-2-butanolSolventHCID 117669-PhenylanthraceneInternal standard

Conditions

Temperature
110 °C

Sources & evidence

ORD record
ord-2fff9272b66945e8a96751c7741f0171
Source dataset
39k HTE dataset from Pfizer
Original link
View source

Reaction notes

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