Dimethylformamide → 2-(3-Fluoro-phenyl)-pyrimidine-5-carboxylic acid (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-amide

HRID 2310974Notes

Reaction equation

HRID 2310974 reaction equation
[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][c:11]1[cH:12][c:13](-[c:17]2[n:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][n:22]2)[cH:14][cH:15][cH:16]1.[F:50][c:51]1[cH:52][cH:53][c:54]2[c:55]([cH:61]1)[N:56]([NH2:60])[CH2:57][CH2:58][O:59]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[F:10][c:11]1[cH:12][c:13](-[c:17]2[n:18][cH:19][c:20]([C:23](=[O:25])[NH:60][N:56]3[c:55]4[c:54]([cH:53][cH:52][c:51]([F:50])[cH:61]4)[O:59][CH2:58][CH2:57]3)[cH:21][n:22]2)[cH:14][cH:15][cH:16]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 450733632-(3-Fluorophenyl)pyrimidine-5-carboxylic acidHCID 68554248HCID 68554248, compound

Product 1

HCID 592000702-(3-Fluoro-phenyl)-pyrimidine-5-carboxylic acid (6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-amide

Sources & evidence

ORD record
ord-d4434825cbd8482bbf4b9d8d93d30e09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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