Ammonium → 2-((2-amino-6-(trifluoromethyl)pyridin-3-yl)methyl)-7-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HRID 213777Notes

Reaction equation

HRID 213777 reaction equation
[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6](=[O:7])[n:8]3[cH:9][cH:10][c:11](-[c:12]4[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]4)[c:19](-[c:20]4[cH:21][cH:22][n:23][cH:24][cH:25]4)[c:26]3[n:27]2)[cH:28][cH:29][c:30]([C:31]([F:32])([F:33])[F:34])[n:35]1.[Cl:38][c:39]1[cH:40][cH:41][c:42](-[c:45]2[c:46](-[c:68]3[cH:69][cH:70][n:71][cH:72][cH:73]3)[c:47]3[n:48]([cH:49][cH:50]2)[c:51](=[O:67])[n:52]([CH2:54][c:55]2[c:56]([NH:65][CH3:66])[n:57][c:58]([C:61]([F:62])([F:63])[F:64])[cH:59][cH:60]2)[n:53]3)[cH:43][cH:44]1.[NH4+:36].[OH-:37]>>[Cl:38][c:39]1[cH:40][cH:41][c:42](-[c:45]2[c:46](-[c:68]3[cH:69][cH:70][n:71][cH:72][cH:73]3)[c:47]3[n:48]([cH:49][cH:50]2)[c:51](=[O:67])[n:52]([CH2:54][c:55]2[c:56]([NH2:65])[n:57][c:58]([C:61]([F:62])([F:63])[F:64])[cH:59][cH:60]2)[n:53]3)[cH:43][cH:44]1

Participants

5

Reactant 4

HCID 223AmmoniumHCID 961HydroxideHCID 160048097-(4-chlorophenyl)-2-((2-(methylamino)-6-(trifluoromethyl)pyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneHCID 160048102-((2-chloro-6-(trifluoromethyl)pyridin-3-yl)methyl)-7-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 160048402-((2-amino-6-(trifluoromethyl)pyridin-3-yl)methyl)-7-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Sources & evidence

ORD record
ord-3834f4afe4aa428b808d6adf453cd03d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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