1,2-Dichloroethane → Di-tert-butyl (8-(4-chlorophenyl)-7-(4-cyanophenyl)-5-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-6-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl phosphate

HRID 679629Notes

Reaction equation

HRID 679629 reaction equation
[CH2:40]([N:41]([CH2:42][CH3:54])[P:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[CH3:55].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([n:11]([CH2:23][c:24]4[c:25]([CH3:34])[n:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[c:12](=[O:22])[c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]2)[c:35]([CH2:38][OH:39])[n:36][n:37]3)[cH:6][cH:7]1.[Cl:67][CH2:68][CH2:69][Cl:70].[Na+:65].[Na+:66].[S:61](=[O:62])([O-:63])[O-:64].[nH:56]1[cH:57][n:58][cH:59][n:60]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([n:11]([CH2:23][c:24]4[c:25]([CH3:34])[n:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]4)[c:12](=[O:22])[c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]2)[c:35]([CH2:38][O:39][P:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:62])[n:36][n:37]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 923Sodium ion2×HCID 1099SulfiteHCID 92571H-1,2,4-TriazoleHCID 4251849Di-tert-butyl diethylphosphoramiditeHCID 25026694Benzonitrile, 4-[8-(4-chlorophenyl)-5,6-dihydro-3-(hydroxyMethyl)-5-[[2-Methyl-6-(trifluoroMethyl)-3-pyridinyl]Methyl]-6-oxo-1,2,4-triazolo[4,3-b]pyridazin-7-yl]-

Product 1

HCID 86638628Di-tert-butyl (8-(4-chlorophenyl)-7-(4-cyanophenyl)-5-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-6-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl phosphate

Sources & evidence

ORD record
ord-78ffec60668a4ff996a449ddc33244bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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