Sodium ion → 2-(4-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazin-1-yl)-acetamide

HRID 1234109Notes

Reaction equation

HRID 1234109 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:21]2[cH:22][c:23]([N:27]4[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]4)[cH:24][cH:25][cH:26]2)[n:19]3)[cH:9][cH:10]1.[CH3:40][C:41]#[N:42].[Cl:33][CH2:34][C:35](=[O:36])[NH2:37].[I-:39].[Na+:38].[OH2:43]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][cH:15][cH:16]2)[n:17][c:18]([NH:20][c:21]2[cH:22][c:23]([N:27]4[CH2:28][CH2:29][N:30]([CH2:34][C:35](=[O:36])[NH2:37])[CH2:31][CH2:32]4)[cH:24][cH:25][cH:26]2)[n:19]3)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 6580ChloroacetamideHCID 30165Iodide IonHCID 59612339[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-piperazin-1-yl-phenyl)-amine

Product 1

HCID 596123702-(4-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazin-1-yl)-acetamide

Sources & evidence

ORD record
ord-23f1fc1fcc3946439da14d9eb93c3791
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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