Water → 2-(3-Fluoro-phenyl)-pyrimidine-5-carboxylic acid (5-fluoro-2-methyl-indol-1-yl)amide

HRID 2344713Notes

Reaction equation

HRID 2344713 reaction equation
[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][n:13]2)[cH:5][cH:6][cH:7]1.[F:51][c:52]1[cH:53][c:54]2[cH:55][c:56]([CH3:62])[n:57]([NH2:61])[c:58]2[cH:59][cH:60]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:17][n:18]1[c:19]2[n:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:61][n:57]3[c:56]([CH3:62])[cH:55][c:54]4[cH:53][c:52]([F:51])[cH:60][cH:59][c:58]43)[cH:12][n:13]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 450733632-(3-Fluorophenyl)pyrimidine-5-carboxylic acidHCID 685544085-Fluoro-2-methyl-indol-1-ylamine

Product 1

HCID 250995162-(3-Fluoro-phenyl)-pyrimidine-5-carboxylic acid (5-fluoro-2-methyl-indol-1-yl)amide

Sources & evidence

ORD record
ord-5fcada6065334a67b9e852a5a2ee4046
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…