N,N-Dimethylaniline → Pyrophosphate

HRID 2313646Notes

Reaction equation

HRID 2313646 reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:1][N:2]([CH3:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH3:51][n:52]1[cH:53][cH:54][n:55][cH:56]1.[F:17][C:18]([F:19])([F:20])[C:21]([O:22][C:23](=[O:24])[C:25]([F:26])([F:27])[F:28])=[O:29].[O-:57][P:58]([O-:59])([O-:60])=[O:61].[OH:30][CH:31]1[CH:32]([OH:33])[CH:39]([n:40]2[c:41](=[O:42])[nH:43][c:44](=[O:45])[cH:46][cH:47]2)[O:48][CH:49]1[CH2:50][O:34][P:35]([OH:36])([OH:37])=[O:38]>>[CH3:10][CH2:11][NH+:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[O:34]([P:35]([O-:36])([O-:37])=[O:38])[P:58](=[O:57])([O-:59])[O-:60]

Participants

8

Reactant 6

HCID 949N,N-DimethylanilineHCID 1061PhosphateHCID 1172(5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphateHCID 13901-MethylimidazoleHCID 8471TriethylamineHCID 9845Trifluoroacetic anhydride

Product 2

HCID 644102PyrophosphateHCID 1385867Triethylammonium

Sources & evidence

ORD record
ord-27cc66b340eb4b0eb7d674ebeafc3ff9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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