Hydrochloric Acid → 5-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

HRID 1215187Notes

Reaction equation

HRID 1215187 reaction equation
[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[ClH:34].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[n:8][cH:9][n:10](-[c:13]3[cH:14][c:15]([CH3:21])[c:16]([C:18](=[O:19])[OH:20])[s:17]3)[c:11]2=[O:12])[cH:22][cH:23]1.[NH2:55][CH2:56][c:57]1[cH:58][n:59][cH:60][cH:61][cH:62]1.[OH:24][n:25]1[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[n:8][cH:9][n:10](-[c:13]3[cH:14][c:15]([CH3:21])[c:16]([C:18](=[O:19])[NH:55][CH2:56][c:57]4[cH:58][n:59][cH:60][cH:61][cH:62]4)[s:17]3)[c:11]2=[O:12])[cH:22][cH:23]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 310183-PyridinemethanamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 594811895-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methylthiophene-2-carboxylic acid

Product 1

HCID 594812615-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-c327f724655d4c779c5dad7e0735886c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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