1,4-Dioxane → N-(3,4-dihydro-3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonyl)-N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)urea

HRID 2346737Notes

Reaction equation

HRID 2346737 reaction equation
[CH3:1][CH:2]1[S:3](=[O:18])(=[O:19])[O:4][c:5]2[c:6]([cH:8][cH:9][cH:10][c:11]2[S:12](=[O:13])(=[O:14])[N:15]=[C:16]=[O:17])[CH2:7]1.[NH2:20][c:21]1[n:22][c:23]([CH3:30])[cH:24][c:25]([CH:27]2[CH2:28][CH2:29]2)[n:26]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[CH3:1][CH:2]1[S:3](=[O:18])(=[O:19])[O:4][c:5]2[c:6]([cH:8][cH:9][cH:10][c:11]2[S:12](=[O:13])(=[O:14])[NH:15][C:16](=[O:17])[NH:20][c:21]2[n:22][c:23]([CH3:30])[cH:24][c:25]([CH:27]3[CH2:28][CH2:29]3)[n:26]2)[CH2:7]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 136726584-Cyclopropyl-6-methyl-2-pyrimidinamineHCID 198393593,4-Dihydro-2,2-dioxo-3-methyl-1,2-benzoxathiin-8-ylsulfonylisocyanate

Product 1

HCID 19839356N-(3,4-dihydro-3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonyl)-N'-(4-cyclopropyl-6-methylpyrimidin-2-yl)urea

Sources & evidence

ORD record
ord-e858e7804e9d4603935fd1d9c79b01c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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