Dimethylformamide → 2-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acid-(3-dimethylsulfamoyl-5-fluoroindol-1-yl)amide

HRID 95983Notes

Reaction equation

HRID 95983 reaction equation
[CH3:51][N:52]([S:53](=[O:54])(=[O:55])[c:56]1[cH:57][n:58]([NH2:66])[c:59]2[cH:60][cH:61][c:62]([F:65])[cH:63][c:64]12)[CH3:67].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:66][n:58]3[cH:57][c:56]([S:53]([N:52]([CH3:51])[CH3:67])(=[O:54])=[O:55])[c:64]4[c:59]3[cH:60][cH:61][c:62]([F:65])[cH:63]4)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 617025872-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acidHCID 685564591-amino-5-fluoro-1H-indole-3-sulfonic acid dimethylamide

Product 1

HCID 250995862-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acid-(3-dimethylsulfamoyl-5-fluoroindol-1-yl)amide

Sources & evidence

ORD record
ord-9be8dacf8c19400390625dc54a42aaf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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