Hydrochloric Acid → N-[6-{2-(4-acetylphenoxy)ethoxy}-2-(2-pyrimidyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

HRID 1238358Notes

Reaction equation

HRID 1238358 reaction equation
[C:37]([CH3:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([O:44][CH2:45][CH2:46][OH:47])[cH:48][cH:49]1.[CH3:53][C:54]([N:55]([CH3:56])[CH3:57])=[O:58].[Cl:1][c:2]1[c:3]([O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[c:4]([NH:14][S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][cH:23]2)[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][n:13]2)[n:7]1.[ClH:52].[H-:50].[Na+:51]>>[c:2]1([O:47][CH2:46][CH2:45][O:44][c:43]2[cH:42][cH:41][c:40]([C:37]([CH3:38])=[O:39])[cH:49][cH:48]2)[c:3]([O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[c:4]([NH:14][S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][cH:23]2)[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][n:13]2)[n:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 31374DimethylacetamideHCID 166653HydrideHCID 30906414'-(2-Hydroxyethoxy)acetophenoneHCID 111351604-Tert-butyl-n-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide

Product 1

HCID 67695880N-[6-{2-(4-acetylphenoxy)ethoxy}-2-(2-pyrimidyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

Sources & evidence

ORD record
ord-906793c9aeeb43198e1293a3e566cd63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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