Water → HCID 25099513, compound

HRID 319513Notes

Reaction equation

HRID 319513 reaction equation
[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][n:13]2)[cH:5][cH:6][cH:7]1.[F:50][c:51]1[cH:52][c:53]2[c:54]([CH3:61])[cH:55][n:56]([NH2:60])[c:57]2[cH:58][cH:59]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:60][n:56]3[cH:55][c:54]([CH3:61])[c:53]4[cH:52][c:51]([F:50])[cH:59][cH:58][c:57]43)[cH:12][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 450733632-(3-Fluorophenyl)pyrimidine-5-carboxylic acidHCID 68554957HCID 68554957, compound

Product 1

HCID 25099513HCID 25099513, compound

Sources & evidence

ORD record
ord-8e24058aa98941fd9178eab9157a87ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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