Water → Methyl 3-isopropoxy-4-nitrobenzoate

HRID 142582

Reaction equation

HRID 142582 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([OH:13])[c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1)=[O:14].[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[Cs+:23].[Cs+:24].[I:15][CH:16]([CH3:17])[CH3:18].[OH2:30]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:13][CH:16]([CH3:17])[CH3:18])[c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1)=[O:14]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6362Isopropyl iodideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 294866Methyl 3-hydroxy-4-nitrobenzoate

Product 1

HCID 21187964Methyl 3-isopropoxy-4-nitrobenzoate

Sources & evidence

ORD record
ord-65926f7f519e4c2ba9ce09c201e9fa9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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