3-Pyridinemethanamine → 5-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methyl-N-((1-methyl-1H-pyrazol-4-yl)methyl)thiophene-2-carboxamide

HRID 203933

Reaction equation

HRID 203933 reaction equation
[CH3:9][n:10]1[n:11][cH:12][c:13]([CH2:15][NH2:16])[cH:14]1.[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][n:23]2[n:24][cH:25][n:26](-[c:29]3[cH:30][c:31]([CH3:37])[c:32]([C:34](=[O:35])[OH:36])[s:33]3)[c:27]2=[O:28])[cH:38][cH:39]1.[NH2:1][CH2:2][c:3]1[cH:4][n:5][cH:6][cH:7][cH:8]1>>[CH3:9][n:10]1[n:11][cH:12][c:13]([CH2:15][NH:16][C:34]([c:32]2[c:31]([CH3:37])[cH:30][c:29](-[n:26]3[cH:25][n:24][n:23]([CH2:22][c:21]4[cH:20][cH:19][c:18]([F:17])[cH:39][cH:38]4)[c:27]3=[O:28])[s:33]2)=[O:35])[cH:14]1

Participants

4

Reactant 3

HCID 310183-PyridinemethanamineHCID 671225(1-methyl-1H-pyrazol-4-yl)methanamineHCID 59481189HCID 59481189, compound

Product 1

HCID 594811745-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methyl-N-((1-methyl-1H-pyrazol-4-yl)methyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-94988182e8f84ef0929711817d93d44a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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