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

HRID 184491Notes

Reaction equation

HRID 184491 reaction equation
[CH3:36][NH:37][CH3:38].[Cl:1][c:2]1[n:3][c:4]([C:32]([F:33])([F:34])[F:35])[cH:5][cH:6][c:7]1[CH2:8][n:9]1[n:10][c:11]2[n:12]([cH:13][cH:14][c:15](-[c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[c:16]2-[c:17]2[cH:18][cH:19][n:20][cH:21][cH:22]2)[c:30]1=[O:31].[Cl:39][c:40]1[cH:41][cH:42][c:43](-[c:44]2[cH:45][cH:46][n:47]3[c:48](=[O:49])[n:50]([CH2:51][c:52]4[c:53]([NH:54][CH3:55])[n:56][c:57]([C:58]([F:59])([F:60])[F:61])[cH:62][cH:63]4)[n:64][c:65]3[c:66]2-[c:67]2[cH:68][cH:69][n:70][cH:71][cH:72]2)[cH:73][cH:74]1.[OH2:75]>>[c:2]1([N:37]([CH3:36])[CH3:38])[n:3][c:4]([C:32]([F:33])([F:34])[F:35])[cH:5][cH:6][c:7]1[CH2:8][n:9]1[n:10][c:11]2[n:12]([cH:13][cH:14][c:15](-[c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[c:16]2-[c:17]2[cH:18][cH:19][n:20][cH:21][cH:22]2)[c:30]1=[O:31]

Participants

5

Reactant 4

HCID 674DimethylamineHCID 962WaterHCID 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 160048387-(4-chlorophenyl)-2-((2-(dimethylamino)-6-(trifluoromethyl)pyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Sources & evidence

ORD record
ord-a66016939b5c4a8b84955428c720f23c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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