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

HRID 695453Notes

Reaction equation

HRID 695453 reaction equation
[CH3:21][N:22]([CH3:23])[CH2:24][CH2:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH3:31].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:1]1([CH2:4][n:5]2[n:6][cH:7][n:8](-[c:11]3[s:12][c:13]([C:17](=[O:18])[OH:19])[c:14]([CH3:16])[n:15]3)[c:9]2=[O:10])[CH2:2][CH2:3]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[ClH:20].[NH2:51][CH2:52][c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH:1]1([CH2:4][n:5]2[n:6][cH:7][n:8](-[c:11]3[s:12][c:13]([C:17](=[O:19])[NH:51][CH2:52][c:53]4[cH:54][cH:55][n:56][cH:57][cH:58]4)[c:14]([CH3:16])[n:15]3)[c:9]2=[O:10])[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 773174-PyridinemethanamineHCID 81531DiisopropylethylamineHCID 579197562-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxylic acid

Product 1

HCID 579200152-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide

Sources & evidence

ORD record
ord-cc0ac06a846f4453aad4532529486dc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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