Water → HCID 25099515, compound

HRID 676692Notes

Reaction equation

HRID 676692 reaction equation
[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[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:51][c:52]1[cH:53][c:54]2[c:55]([CH3:62])[cH:56][n:57]([NH2:61])[c:58]2[cH:59][cH:60]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:61][n:57]3[cH:56][c:55]([CH3:62])[c:54]4[cH:53][c:52]([F:51])[cH:60][cH:59][c:58]43)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 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 68554957HCID 68554957, compound

Product 1

HCID 25099515HCID 25099515, compound

Sources & evidence

ORD record
ord-4e365ab242f64a3ea5438644b72a0c4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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