Sodium ion → 1-[3-(9-Chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-phenylurea

HRID 1115556Notes

Reaction equation

HRID 1115556 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl:1][c:2]1[c:3]2[c:4]3[c:5]([c:6](=[O:19])[n:7]([CH:12]4[CH2:13][CH:14]([NH2:18])[CH2:15][CH2:16][CH2:17]4)[c:8]2[cH:9][cH:10][cH:11]1)[c:20]([CH3:23])[o:21][n:22]3.[Na+:25].[OH-:24].[c:26]1([N:32]=[C:33]=[O:34])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[c:3]2[c:4]3[c:5]([c:6](=[O:19])[n:7]([CH:12]4[CH2:13][CH:14]([NH:18][C:33]([NH:32][c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)=[O:34])[CH2:15][CH2:16][CH2:17]4)[c:8]2[cH:9][cH:10][cH:11]1)[c:20]([CH3:23])[o:21][n:22]3

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 227137145-(3-Amino-cyclohexyl)-9-chloro-3-methyl-5H-isoxazolo[4,3-c]quinolin-4-one

Product 1

HCID 227141391-[3-(9-Chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-phenylurea

Sources & evidence

ORD record
ord-a51ba81a2b5045d0bd0b917fc1f18f4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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