Dimethyl Sulfoxide → N-(4-(6-Aminopyrimidin-4-yloxy)phenyl)-N'-(3-methanesulfonylphenyl)urea

HRID 195829Notes

Reaction equation

HRID 195829 reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:43][S:44]([CH3:45])=[O:46].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][n:12]2)[cH:14][cH:15]1.[OH2:42].[c:16]1([O:22][C:23](=[O:17])[NH:24][c:25]2[cH:26][c:27]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:28][cH:29][cH:30]2)[cH:18][cH:19][cH:20][cH:21][cH:35]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][n:12]2)[cH:14][cH:15]1)[C:23](=[O:22])[NH:24][c:25]1[cH:26][c:27]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:28][cH:29][cH:30]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 22936234Phenyl 3-methylsulfonylphenylcarbamateHCID 229363746-(4-Amino-phenoxy)-pyrimidin-4-ylamine

Product 1

HCID 22936323N-(4-(6-Aminopyrimidin-4-yloxy)phenyl)-N'-(3-methanesulfonylphenyl)urea

Sources & evidence

ORD record
ord-e5023c36834240c1be449b7370c0532b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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