HCID 71696867, compound → HCID 178425085, compound

HRID 2017631Notes

Reaction equation

HRID 2017631 reaction equation
[CH3:1][c:2]1[n:30][c:21]([O:22][CH2:23][c:24]2[cH:29][cH:28][cH:27][cH:26][cH:25]2)[c:6]([CH2:7][N:8]3[C:19](=[O:20])[c:18]([c:11]4[CH2:10][CH2:9]3)[c:16]([Cl:17])[c:15](Br)[cH:14][c:12]4[Cl:13])[c:4]([CH3:5])[cH:3]1.[CH3:31][C:32]([O:35][C:36]([N:38]1[CH2:41][CH:40]([B-](F)(F)F)[CH2:39]1)=[O:37])([CH3:34])[CH3:33]>>[CH3:1][c:2]1[n:30][c:21]([O:22][CH2:23][c:24]2[cH:29][cH:28][cH:27][cH:26][cH:25]2)[c:6]([CH2:7][N:8]3[C:19](=[O:20])[c:18]([c:11]4[CH2:10][CH2:9]3)[c:16]([Cl:17])[c:15]([CH:40]5[CH2:41][N:38]([C:36]([O:35][C:32]([CH3:34])([CH3:33])[CH3:31])=[O:37])[CH2:39]5)[cH:14][c:12]4[Cl:13])[c:4]([CH3:5])[cH:3]1

Participants

8

Reactant 2

HCID 71696867HCID 71696867, compoundHCID 867237282-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one

Product 1

HCID 178425085HCID 178425085, compound

Reagents, catalysts & solvents 5

HCID 962WaterReagentHCID 62657Potassium Phosphate, TribasicReagentHCID 178454862HCID 178454862, compoundCatalystHCID 1140TolueneSolventHCID 117669-PhenylanthraceneInternal standard

Conditions

Temperature
90 °C

Sources & evidence

ORD record
ord-e2fe3c20eea44a3596f586981a955b4f
Source dataset
39k HTE dataset from Pfizer
Original link
View source

Reaction notes

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