Potassium Cation → 5-methyl-7-[2'-(trifluoromethyl)-1,1'-biphenyl-3-yl]-N-(3,4,5-trimethoxyphenyl) imidazo[5,1-f][1,2,4]triazin-2-amine

HRID 297245Notes

Reaction equation

HRID 297245 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[Cl:52][CH2:53][Cl:54].[F:31][C:32]([c:33]1[c:34]([B:39]([OH:40])[OH:41])[cH:35][cH:36][cH:37][cH:38]1)([F:42])[F:43].[H:50][H:51].[K+:48].[K+:49]>>[c:2]1(-[c:34]2[c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37][cH:36][cH:35]2)[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343872-(Trifluoromethyl)benzeneboronic acidHCID 112135557-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)-imidazo[5,1-f][1,2,4]triazin-2-amineHCID 178418361HCID 178418361, compound

Product 1

HCID 113071655-methyl-7-[2'-(trifluoromethyl)-1,1'-biphenyl-3-yl]-N-(3,4,5-trimethoxyphenyl) imidazo[5,1-f][1,2,4]triazin-2-amine

Sources & evidence

ORD record
ord-0b959518db814ae29514a2f206623f09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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