Chloride → 5-Chloro-7-(2,4-dichlorophenyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine

HRID 1231124Notes

Reaction equation

HRID 1231124 reaction equation
[C:23](=[O:24])([OH:25])[O-:26].[CH2:34]([N+:35]([CH2:36][CH3:37])([CH2:38][CH3:39])[CH2:40][CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl-:33].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[n:12]([c:13]([OH:15])[n:14]2)[n:16][c:17]([C:19]([F:20])([F:21])[F:22])[n:18]3)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:27].[P:28]([Cl:29])([Cl:30])([Cl:31])=[O:32]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[n:12]([c:13]([Cl:30])[n:14]2)[n:16][c:17]([C:19]([F:20])([F:21])[F:22])[n:18]3)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 17208BenzyltriethylammoniumHCID 24813Phosphorus oxychlorideHCID 178517481HCID 178517481, compound

Product 1

HCID 593131465-Chloro-7-(2,4-dichlorophenyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine

Sources & evidence

ORD record
ord-f008a108a535494ea9279624f00d9d3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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