Ethyl Acetate → N-(3,5-Dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)pyridin-4-ylmethylthio]pyridine-3-carboxamide

HRID 134346

Reaction equation

HRID 134346 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:8][c:9]1[cH:10][c:11]([NH:16][C:17](=[O:18])[c:19]2[c:20]([S:25][CH2:26][c:27]3[cH:28][c:29]([F:33])[n:30][cH:31][cH:32]3)[n:21][cH:22][cH:23][cH:24]2)[cH:12][c:13]([CH3:15])[cH:14]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:29]2[cH:28][c:27]([CH2:26][S:25][c:20]3[c:19]([C:17]([NH:16][c:11]4[cH:10][c:9]([CH3:8])[cH:14][c:13]([CH3:15])[cH:12]4)=[O:18])[cH:24][cH:23][cH:22][n:21]3)[cH:32][cH:31][n:30]2)[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 10067543N-(3,5-Dimethylphenyl)-2-(2-fluoropyridin-4-ylmethylthio)pyridine-3-carboxamide

Product 1

HCID 11201713N-(3,5-Dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)pyridin-4-ylmethylthio]pyridine-3-carboxamide

Sources & evidence

ORD record
ord-2f009c4f8f8644af885c2f2eddc90488
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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