Ethyl Acetate → 5-Chloro-7-(2-chloro-4-pyridyl)-8-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo[4,3-c]pyrimidine

HRID 135420Notes

Reaction equation

HRID 135420 reaction equation
[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[OH:1][c:2]1[n:3][c:4](-[c:21]2[cH:22][c:23]([Cl:27])[n:24][cH:25][cH:26]2)[c:5](-[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)[c:6]2[n:7]1[cH:8][n:9][n:10]2.[P:28]([Cl:29])([Cl:30])([Cl:31])=[O:32]>>[c:2]1([Cl:30])[n:3][c:4](-[c:21]2[cH:22][c:23]([Cl:27])[n:24][cH:25][cH:26]2)[c:5](-[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)[c:6]2[n:7]1[cH:8][n:9][n:10]2

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 178517542HCID 178517542, compound

Product 1

HCID 223466035-Chloro-7-(2-chloro-4-pyridyl)-8-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo[4,3-c]pyrimidine

Sources & evidence

ORD record
ord-9b86cc0625524fc7b1772b7c4db2bac0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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