Hydrochloric Acid → N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-propyl-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide

HRID 168948Notes

Reaction equation

HRID 168948 reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][c:19]([CH2:34][CH2:35][CH3:36])[n:20][c:21]([O:30][CH2:31][CH2:32][OH:33])[c:22]2-[c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)[cH:11][cH:12]1.[CH3:51][C:52]([N:53]([CH3:54])[CH3:55])=[O:56].[Cl:37][c:38]1[n:39][cH:40][c:41]([Br:44])[cH:42][n:43]1.[ClH:45].[H-:1].[Na+:2].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][c:19]([CH2:34][CH2:35][CH3:36])[n:20][c:21]([O:30][CH2:31][CH2:32][O:33][c:38]3[n:39][cH:40][c:41]([Br:44])[cH:42][n:43]3)[c:22]2-[c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 31374DimethylacetamideHCID 166653HydrideHCID 6066655-Bromo-2-chloropyrimidineHCID 196894984-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-n-propylpyrimidin-4-yl]benzenesulfonamide

Product 1

HCID 19689505N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-propyl-5-p-tolyl-pyrimidin-4-yl}-4-tert-butyl-benzenesulfonamide

Sources & evidence

ORD record
ord-b0c6f9ea6670407fb229b37219fc53df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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