1,4-Dioxane → 1-(5-[2-[(2-Dimethylamino-ethyl)-methyl-amino]-6-methyl-pyrimidin-4-yl]-4-methyl-thiazol-2-yl)-3-[2-(1-ethyl-1H-imidazol-4-yl)-ethyl]-urea

HRID 157915Notes

Reaction equation

HRID 157915 reaction equation
[CH2:1]([CH3:2])[n:3]1[cH:4][n:5][c:6]([CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]2[s:15][c:16](-[c:20]3[n:21][c:22]([S:27]([CH3:28])=[O:29])[n:23][c:24]([CH3:26])[cH:25]3)[c:17]([CH3:19])[n:18]2)[cH:7]1.[CH3:30][N:31]([CH2:32][CH2:33][NH:34][CH3:35])[CH3:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[CH2:1]([CH3:2])[n:3]1[cH:4][n:5][c:6]([CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]2[s:15][c:16](-[c:20]3[n:21][c:22]([N:34]([CH2:33][CH2:32][N:31]([CH3:30])[CH3:36])[CH3:35])[n:23][c:24]([CH3:26])[cH:25]3)[c:17]([CH3:19])[n:18]2)[cH:7]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 673381,2-Ethanediamine, N1,N1,N2-trimethyl-HCID 111663941-[2-(1-Ethyl-1H-imidazol-4-yl)-ethyl]-3-[5-(2-methanesulfinyl-6-methyl-pyrimidin-4-yl)-4-methyl-thiazol-2-yl]-urea

Product 1

HCID 866530621-(5-[2-[(2-Dimethylamino-ethyl)-methyl-amino]-6-methyl-pyrimidin-4-yl]-4-methyl-thiazol-2-yl)-3-[2-(1-ethyl-1H-imidazol-4-yl)-ethyl]-urea

Sources & evidence

ORD record
ord-e1da6f3d7ea24c4ebb41db3c6bb393db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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