Potassium Cation → 3-(3,5-dichlorophenoxy)-1-({1-(4-methoxybenzyl)-6-[(4-methoxybenzyl)amino]-1H-pyrazolo[3,4-b]pyridine-3-yl}methyl)-4-(trifluoromethyl)pyridine-2(1H)-one

HRID 809896Notes

Reaction equation

HRID 809896 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7](=[O:16])[nH:8][cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:17][c:18]([Cl:20])[cH:19]1.[Cl:27][CH2:28][c:29]1[n:30][n:31]([CH2:48][c:49]2[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][cH:54]2)[c:32]2[n:33][c:34]([NH:38][CH2:39][c:40]3[cH:41][cH:42][c:43]([O:46][CH3:47])[cH:44][cH:45]3)[cH:35][cH:36][c:37]12.[K+:25].[K+:26].[OH2:62]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7](=[O:16])[n:8]([CH2:28][c:29]3[n:30][n:31]([CH2:48][c:49]4[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][cH:54]4)[c:32]4[n:33][c:34]([NH:38][CH2:39][c:40]5[cH:41][cH:42][c:43]([O:46][CH3:47])[cH:44][cH:45]5)[cH:35][cH:36][c:37]34)[cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:17][c:18]([Cl:20])[cH:19]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 568336463-(Chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-6-amineHCID 595297703-(3,5-dichlorophenoxy)-4-(trifluoromethyl)pyridin-2(1H)-one

Product 1

HCID 595297743-(3,5-dichlorophenoxy)-1-({1-(4-methoxybenzyl)-6-[(4-methoxybenzyl)amino]-1H-pyrazolo[3,4-b]pyridine-3-yl}methyl)-4-(trifluoromethyl)pyridine-2(1H)-one

Sources & evidence

ORD record
ord-2d578b8908184b86913b00e4d70d4bd7
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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