Pyridine → Hexane-1-sulfonic acid {5-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridin-2-YL}amide

HRID 700264

Reaction equation

HRID 700264 reaction equation
[CH2:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[S:32](=[O:33])(=[O:34])[Cl:35].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[cH:6][n:7]1.[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[cH:6][n:7]1)[S:32]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])(=[O:33])=[O:34]

Participants

5

Reactant 4

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 845041-Hexanesulfonyl chlorideHCID 67419145[4-(6-Aminopyridin-3-YL)piperazin-1-YL]-(2-trifluoromethylphenyl)methanone

Product 1

HCID 11294961Hexane-1-sulfonic acid {5-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridin-2-YL}amide

Sources & evidence

ORD record
ord-4419d52044c7417ab8bfd9f48d5f6bf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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