Water → 5-[2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

HRID 2325596Notes

Reaction equation

HRID 2325596 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([C:12](=[O:13])[OH:14])[n:8]([CH3:11])[n:9][cH:10]1.[CH3:39][O:40][c:41]1[cH:42][c:43](-[c:47]2[n:48][n:49]3[c:50]([cH:51][c:52]([NH2:55])[cH:53][cH:54]3)[n:56]2)[cH:44][cH:45][cH:46]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([C:12](=[O:14])[NH:55][c:52]2[cH:51][c:50]3[n:49]([n:48][c:47](-[c:43]4[cH:42][c:41]([O:40][CH3:39])[cH:46][cH:45][cH:44]4)[n:56]3)[cH:54][cH:53]2)[n:8]([CH3:11])[n:9][cH:10]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 252475674-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acidHCID 677739812-(3-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine

Product 1

HCID 677766035-[2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-ab74ca98d628410fa79ef5fef2f14577
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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