Sodium ion → 4-methoxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-oxo-2-propenyl]-2H-1-benzopyran-2-one

HRID 2128784

Reaction equation

HRID 2128784 reaction equation
[CH3:31][O:32][S:33]([O:34][CH3:35])(=[O:36])=[O:37].[CH3:39][N:40]([P:41]([N:42]([CH3:43])[CH3:44])([N:45]([CH3:46])[CH3:47])=[O:48])[CH3:49].[H-:29].[Na+:30].[OH2:38].[OH:1][c:2]1[c:3]([C:13]([CH:14]=[CH:15][c:16]2[cH:17][c:18]([Cl:27])[c:19]([O:22][C:23]([F:24])([F:25])[F:26])[cH:20][cH:21]2)=[O:28])[c:4](=[O:12])[o:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2>>[O:1]([c:2]1[c:3]([C:13]([CH:14]=[CH:15][c:16]2[cH:17][c:18]([Cl:27])[c:19]([O:22][C:23]([F:24])([F:25])[F:26])[cH:20][cH:21]2)=[O:28])[c:4](=[O:12])[o:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2)[CH3:31]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6497Dimethyl SulfateHCID 12679HexamethylphosphoramideHCID 166653HydrideHCID 762111144-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]1-oxo-2-propenyl]-2H-1-benzopyran-2-one

Product 1

HCID 740199914-methoxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-oxo-2-propenyl]-2H-1-benzopyran-2-one

Sources & evidence

ORD record
ord-b2bdd92a038948489c26464d7417b1cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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