Methanol → Methyl 4-(2-(4-morpholinophenylamino)-5-methylpyrimidin-4-yl)-2-methoxybenzoate

HRID 1118719Notes

Reaction equation

HRID 1118719 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:46][OH:47].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:20])[c:6](-[c:8]2[cH:9][c:10]([O:18][CH3:19])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]2)[n:7]1.[O:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([NH2:31])[cH:32][cH:33]2)[CH2:25][CH2:26]1.[OH2:34].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[c:2]1([NH:31][c:30]2[cH:29][cH:28][c:27]([N:24]3[CH2:23][CH2:22][O:21][CH2:26][CH2:25]3)[cH:33][cH:32]2)[n:3][cH:4][c:5]([CH3:20])[c:6](-[c:8]2[cH:9][c:10]([O:18][CH3:19])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]2)[n:7]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 312751,4-DioxaneHCID 75655Benzenamine, 4-(4-morpholinyl)-HCID 86643815Methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-2-methoxybenzoate

Product 1

HCID 68425754Methyl 4-(2-(4-morpholinophenylamino)-5-methylpyrimidin-4-yl)-2-methoxybenzoate

Sources & evidence

ORD record
ord-3b5fa7ebe82745699d458d5d43bb339a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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