Chloride → 4-(3-Chloro-4-methoxyphenyl)-4-oxobut-2-enoic acid

HRID 2125052Notes

Reaction equation

HRID 2125052 reaction equation
[Al+3:18].[Cl-:17].[Cl-:19].[Cl-:20].[Cl:21][c:22]1[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]1.[Cl:33][Si:34]([CH3:35])([CH3:36])[CH3:37].[Cl:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[ClH:30].[I-:32].[Na+:31].[O:1]=[C:2]1[O:3][C:4](=[O:5])[CH:6]=[CH:7]1.[S:8]([O:9][CH2:10][CH3:11])([O:12][CH2:13][CH3:14])(=[O:15])=[O:16]>>[O:1]=[C:2]([CH:7]=[CH:6][C:4]([OH:3])=[O:5])[c:26]1[cH:25][cH:24][c:23]([O:28][CH3:29])[c:22]([Cl:21])[cH:27]1

Participants

11

Reactant 10

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6163Diethyl SulfateHCID 6397ChlorotrimethylsilaneHCID 7923Maleic AnhydrideHCID 7964ChlorobenzeneHCID 130112-ChloroanisoleHCID 30165Iodide IonHCID 104727Aluminum Cation

Product 1

HCID 538247784-(3-Chloro-4-methoxyphenyl)-4-oxobut-2-enoic acid

Sources & evidence

ORD record
ord-e0f1568ca6d54b6cbc3273ad127e03c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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