Sodium ion → HCID 59149823, compound

HRID 2333088Notes

Reaction equation

HRID 2333088 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[Cl:8][CH2:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][c:28]4[n:29]([n:30]3)[c:31]([C:34]([F:35])([F:36])[F:37])[n:32][n:33]4)[CH2:23][CH2:24]2)[cH:17][cH:18]1.[I-:39].[Na+:38]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([CH:19]3[CH2:20][CH2:21][N:22]([c:25]4[cH:26][cH:27][c:28]5[n:29]([n:30]4)[c:31]([C:34]([F:35])([F:36])[F:37])[n:32][n:33]5)[CH2:23][CH2:24]3)[cH:17][cH:18]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 30165Iodide IonHCID 531671-MethylpiperazineHCID 673415912-chloro-N-[4-[1-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]acetamide

Product 1

HCID 59149823HCID 59149823, compound

Sources & evidence

ORD record
ord-be50dd0910f24aba84de1dfa6acda080
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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