Sodium ion → 5-isopropyl-N-[6-(4-hydroxy-2-butynyloxy)-5-(o-methoxyphenoxy)-4-pyrimidinyl]-2-pyridine sulfonamide

HRID 99708

Reaction equation

HRID 99708 reaction equation
[CH2:1]([C:2]#[C:3][CH2:4][OH:5])[OH:6].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[C:50]1=[O:51].[CH:9]([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]2[n:23][cH:24][n:25][c:26]([Cl:37])[c:27]2[O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[n:16][cH:17]1.[H-:7].[Na+:8].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH2:1]([C:2]#[C:3][CH2:4][O:5][c:26]1[n:25][cH:24][n:23][c:22]([NH:21][S:18]([c:15]2[cH:14][cH:13][c:12]([CH:9]([CH3:10])[CH3:11])[cH:17][n:16]2)(=[O:19])=[O:20])[c:27]1[O:28][c:29]1[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]1)[OH:6]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 80662-Butyne-1,4-diolHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 166653HydrideHCID 227294075-isopropyl-N-[6-chloro-5-(o-methoxyphenoxy)-4-pyrimidinyl]-2-pyridine sulfonamide

Product 1

HCID 101408715-isopropyl-N-[6-(4-hydroxy-2-butynyloxy)-5-(o-methoxyphenoxy)-4-pyrimidinyl]-2-pyridine sulfonamide

Sources & evidence

ORD record
ord-19ae4076a0b84c7d846593418efcf897
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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