Isopropanol → N2-(5-Bromo-2-isopropoxy-4-methyl-phenyl)-5-methyl-N4-[2-(propane-2-sulfonyl)-phenyl]pyrimidine-2,4-diamine

HRID 1202348Notes

Reaction equation

HRID 1202348 reaction equation
[Br:1][c:2]1[c:3]([CH3:13])[cH:4][c:5]([O:9][CH:10]([CH3:11])[CH3:12])[c:6]([NH2:8])[cH:7]1.[CH3:35][S:36](=[O:37])(=[O:38])[OH:39].[CH3:40][CH:41]([OH:42])[CH3:43].[Cl:14][c:15]1[n:16][cH:17][c:18]([CH3:34])[c:19]([NH:21][c:22]2[c:23]([S:28](=[O:29])(=[O:30])[CH:31]([CH3:32])[CH3:33])[cH:24][cH:25][cH:26][cH:27]2)[n:20]1>>[Br:1][c:2]1[c:3]([CH3:13])[cH:4][c:5]([O:9][CH:10]([CH3:11])[CH3:12])[c:6]([NH:8][c:15]2[n:16][cH:17][c:18]([CH3:34])[c:19]([NH:21][c:22]3[c:23]([S:28](=[O:29])(=[O:30])[CH:31]([CH3:32])[CH3:33])[cH:24][cH:25][cH:26][cH:27]3)[n:20]2)[cH:7]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 597644732-chloro-N-(2-(isopropylsulfonyl)phenyl)-5-methylpyrimidin-4-amineHCID 597644885-Bromo-2-isopropoxy-4-methyl-phenylamine

Product 1

HCID 59764523N2-(5-Bromo-2-isopropoxy-4-methyl-phenyl)-5-methyl-N4-[2-(propane-2-sulfonyl)-phenyl]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-85cbfbf2e6cf426797cdbc120b478903
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…