Hydrochloric Acid → 1-pyridin-3-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[3-(3-fluoro-5-trifluoromethyl-phenoxy)-azetidin-1-yl]-2-oxo-ethyl}-amide

HRID 1201883Notes

Reaction equation

HRID 1201883 reaction equation
[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:56].[F:57][c:58]1[cH:59][c:60]([O:61][CH:62]2[CH2:63][NH:64][CH2:65]2)[cH:66][c:67]([C:69]([F:70])([F:71])[F:72])[cH:68]1.[NH2:49][c:50]1[cH:51][n:52][cH:53][cH:54][cH:55]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1.[n:31]1[cH:32][c:33](-[n:37]2[n:38][n:39][c:40]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:47])[OH:48])[cH:41]2)[cH:34][cH:35][cH:36]1>>[n:31]1[cH:32][c:33](-[n:37]2[n:38][n:39][c:40]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:48])[N:64]3[CH2:63][CH:62]([O:61][c:60]4[cH:59][c:58]([F:57])[cH:68][c:67]([C:69]([F:70])([F:71])[F:72])[cH:66]4)[CH2:65]3)[cH:41]2)[cH:34][cH:35][cH:36]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 100093-AminopyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 66592012[(1-pyridin-3-yl-1H-[1,2,3]triazole-4-carbonyl)-amino]-acetic acidHCID 665922153-[3-Fluoro-5-(trifluoromethyl)phenoxy]azetidine

Product 1

HCID 578744501-pyridin-3-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[3-(3-fluoro-5-trifluoromethyl-phenoxy)-azetidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-1755b827974742cab9e862b674ea96a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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