Ammonium → N-{6-[2-(5-Bromopyrimidin-2-yloxy)ethoxy]-2-(2-hydroxyethylamino)-5-(2-methoxyphenoxy)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

HRID 85798

Reaction equation

HRID 85798 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13]([O:36][c:37]3[c:38]([O:43][CH3:44])[cH:39][cH:40][cH:41][cH:42]3)[c:14]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]3)[n:15][c:16]([S:18]([CH3:19])(=[O:20])=[O:21])[n:17]2)[n:6][cH:7]1.[CH3:51][C:52]([N:53]([CH3:54])[CH3:55])=[O:56].[Cl-:49].[NH2:45][CH2:46][CH2:47][OH:48].[NH4+:50]>>[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13]([O:36][c:37]3[c:38]([O:43][CH3:44])[cH:39][cH:40][cH:41][cH:42]3)[c:14]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]3)[n:15][c:16]([NH:45][CH2:46][CH2:47][OH:48])[n:17]2)[n:6][cH:7]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 700EthanolamineHCID 31374DimethylacetamideHCID 10963585N-{6-[2-(5-bromopyrimidin-2-yloxy)ethoxy]-5-(2-methoxy-phenoxy)-2-methylsulfonylpyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

Product 1

HCID 18931063N-{6-[2-(5-Bromopyrimidin-2-yloxy)ethoxy]-2-(2-hydroxyethylamino)-5-(2-methoxyphenoxy)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

Sources & evidence

ORD record
ord-7c6c1a3f48ff4578a04d8fd4fa2b654e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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