Hydrochloric Acid → 2-(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

HRID 680877Notes

Reaction equation

HRID 680877 reaction equation
[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[ClH:25].[F:1][C:2]([CH2:3][n:4]1[n:5][n:6][c:7](-[c:9]2[s:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:8]1)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[F:24].[NH2:56][CH2:57][c:58]1[cH:59][n:60][cH:61][cH:62][cH:63]1.[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[F:1][C:2]([CH2:3][n:4]1[n:5][n:6][c:7](-[c:9]2[s:10][c:11]([C:15](=[O:16])[NH:56][CH2:57][c:58]3[cH:59][n:60][cH:61][cH:62][cH:63]3)[c:12]([CH3:14])[n:13]2)[cH:8]1)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[F:24]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 310183-PyridinemethanamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 591797042-(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)-4-methylthiazole-5-carboxylic acid

Product 1

HCID 249578532-(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

Sources & evidence

ORD record
ord-e4e2e8bf9fbd4aadb0a6ef168aa50847
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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