Formic Acid → HCID 87318776, compound

HRID 1564151Notes

Reaction equation

HRID 1564151 reaction equation
[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([NH:50][C:51]1=[N:56][C:55]([CH3:57])([c:58]2[c:59]([F:65])[cH:60][cH:61][c:62]([NH2:64])[cH:63]2)[C:54]([F:66])([F:67])[CH2:53][O:52]1)=[O:68].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[CH:75]([OH:76])=[O:77].[F:1][C:2]([C:3]([C:4](=[O:5])[OH:6])([CH3:7])[OH:8])([F:9])[F:10].[OH2:74].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[F:1][C:2]([C:3]([C:4](=[O:5])[NH:64][c:62]1[cH:61][cH:60][c:59]([F:65])[c:58]([C:55]2([CH3:57])[C:54]([F:66])([F:67])[CH2:53][O:52][C:51]([NH:50][C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:68])=[N:56]2)[cH:63]1)([CH3:7])[OH:8])([F:9])[F:10]

Participants

9

Reactant 8

HCID 284Formic AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27751253,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67233584HCID 67233584, compound

Product 1

HCID 87318776HCID 87318776, compound

Sources & evidence

ORD record
ord-ffe334c0b98f40f4aa4bbd11e4586b15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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