1,4-Dioxane → 1-(5-chlorothiophen-2-ylsulfonyl)-3-(4-(6-fluoro-7-(methylamino)-4-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)urea

HRID 113783Notes

Reaction equation

HRID 113783 reaction equation
[CH2:22]([O:24][C:25](=[O:23])[NH:26][S:27](=[O:28])(=[O:29])[c:30]1[s:31][c:32]([Cl:35])[cH:33][cH:34]1)[CH3:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][O:10][c:11]3[c:12]([cH:15][c:16]([F:21])[c:17]([NH:19][CH3:20])[cH:18]3)[C:13]2=[O:14])[cH:6][cH:7]1.[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][O:10][c:11]3[c:12]([cH:15][c:16]([F:21])[c:17]([NH:19][CH3:20])[cH:18]3)[C:13]2=[O:14])[cH:6][cH:7]1)[C:25](=[O:24])[NH:26][S:27](=[O:28])(=[O:29])[c:30]1[s:31][c:32]([Cl:35])[cH:33][cH:34]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 184524863-(4-Aminophenyl)-6-fluoro-7-(methylamino)-2,3-dihydrobenzo[e][1,3]oxazin-4-oneHCID 24778122Ethyl ((5-chlorothiophen-2-yl)sulfonyl)carbamate

Product 1

HCID 116276321-(5-chlorothiophen-2-ylsulfonyl)-3-(4-(6-fluoro-7-(methylamino)-4-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)urea

Sources & evidence

ORD record
ord-e707b85daeed431e85a97ed88a1086dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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