Dimethylformamide → 2-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (3-methyl-pyrrolo[3,2-b]pyridin-1-yl)-amide

HRID 101135Notes

Reaction equation

HRID 101135 reaction equation
[CH3:1][c:2]1[cH:3][n:4]([NH2:11])[c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]2.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[F:12][c:13]1[cH:14][c:15](-[c:19]2[n:20][cH:21][c:22]([C:26](=[O:27])[OH:28])[c:23]([CH3:25])[n:24]2)[cH:16][cH:17][cH:18]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][c:2]1[cH:3][n:4]([NH:11][C:26]([c:22]2[cH:21][n:20][c:19](-[c:15]3[cH:14][c:13]([F:12])[cH:18][cH:17][cH:16]3)[n:24][c:23]2[CH3:25])=[O:27])[c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]2

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 685552333-Methyl-pyrrolo[3,2-b]pyridin-1-yl amine

Product 1

HCID 592000172-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (3-methyl-pyrrolo[3,2-b]pyridin-1-yl)-amide

Sources & evidence

ORD record
ord-3e63eb44d99845d4818aafb8dd6d5e35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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