Water → 2-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (5-fluoro-2-methyl-indol-1-yl)amide

HRID 281122Notes

Reaction equation

HRID 281122 reaction equation
[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[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.[F:52][c:53]1[cH:54][c:55]2[cH:56][c:57]([CH3:63])[n:58]([NH2:62])[c:59]2[cH:60][cH:61]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:62][n:58]3[c:57]([CH3:63])[cH:56][c:55]4[cH:54][c:53]([F:52])[cH:61][cH:60][c:59]43)[c:12]([CH3:14])[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 617025872-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acidHCID 685544085-Fluoro-2-methyl-indol-1-ylamine

Product 1

HCID 250994732-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (5-fluoro-2-methyl-indol-1-yl)amide

Sources & evidence

ORD record
ord-7ff6061e9c204f498b5fe3c4b70ccc3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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