Ammonium → HCID 58204019, compound

HRID 2129164Notes

Reaction equation

HRID 2129164 reaction equation
[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][cH:21][c:20](-[c:23]3[c:24](=[O:33])[n:25]([CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27][cH:28]3)[cH:19]1)[O:14][CH2:13][CH2:12]2.[CH:34]([N:37]([CH:35]([CH3:36])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Cl-:43].[NH4+:44].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][cH:21][c:20](-[c:23]3[c:24](=[O:33])[n:25]([CH2:29][C:30](=[O:31])[NH2:37])[cH:26][cH:27][cH:28]3)[cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58203861HCID 58203861, compound

Product 1

HCID 58204019HCID 58204019, compound

Sources & evidence

ORD record
ord-8a4dd584c8cd4f10b2362a03267e237d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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