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

HRID 1218859Notes

Reaction equation

HRID 1218859 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10](-[c:13]2[cH:14][c:15]([CH3:21])[c:16]([C:18](=[O:19])[OH:20])[s:17]2)[n:11][nH:12]1.[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[ClH:32].[NH2:53][CH2:54][c:55]1[cH:56][n:57][cH:58][cH:59][cH:60]1.[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10](-[c:13]2[cH:14][c:15]([CH3:21])[c:16]([C:18](=[O:20])[NH:53][CH2:54][c:55]3[cH:56][n:57][cH:58][cH:59][cH:60]3)[s:17]2)[n:11][nH:12]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 310183-PyridinemethanamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 591797135-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-methylthiophene-2-carboxylic acid

Product 1

HCID 249578555-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-34355e4ef208469e9864db1fe0e1b806
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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